Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration | Paper Citation Record

Observation ab34e69a-a478-42b4-87ab-b9411039f9f1 · outbound

This paper cites Toward reliable density functional methods without adjustable parameters: The pbe0 model.The Journal of chemical physics, 110(13):6158–6170, 1999.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Toward reliable density functional methods without adjustable parameters: The pbe0 model.The Journal of chemical physics, 110(13):6158–6170, 1999

Reference 1

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:36.594438Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 3f6a214b-a9bc-4a33-9a07-c2f926869524 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 2

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:36.731610Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 4feacde4-71ef-4f20-b4a7-d4c15e40f336 · outbound

This paper cites Gfn2-xtb—an accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Gfn2-xtb—an accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions

Reference 3

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:36.872283Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 3e7d9483-0c51-49a7-859d-ca4f6cd0c249 · outbound

This paper cites A new time dependent density functional algorithm for large systems and plasmons in metal clusters.The Journal of Chemical Physics, 143(2), 2015.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration A new time dependent density functional algorithm for large systems and plasmons in metal clusters.The Journal of Chemical Physics, 143(2), 2015

Reference 4

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:37.012139Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 49264500-1870-4e39-a8df-79eebbad4445 · outbound

This paper cites A direct method for the location of the lowest energy point on a potential surface crossing.Chemical physics letters, 223(3):269–274, 1994.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration A direct method for the location of the lowest energy point on a potential surface crossing.Chemical physics letters, 223(3):269–274, 1994

Reference 5

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:37.153028Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 63d77106-1033-4562-9672-46eb5a5c08ec · outbound

This paper cites Time-dependent density functional response theory for molecules.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Time-dependent density functional response theory for molecules

Reference 6

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:37.245080Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation cb179dfc-1ef5-4a0b-ba0e-f096e22c5589 · outbound

This paper cites Analytic gradients for selected configuration interaction.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Analytic gradients for selected configuration interaction

Reference 7

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:37.377854Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation e85c610d-6a24-4a97-b260-2b9a0b06684a · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 8

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:37.477517Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 7fd4d655-b854-4dff-9fde-154432c29f60 · outbound

This paper cites Ab initio nonadiabatic quantum molecular dynamics.Chemical reviews, 118(7):3305–3336, 2018.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Ab initio nonadiabatic quantum molecular dynamics.Chemical reviews, 118(7):3305–3336, 2018

Reference 9

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:37.613869Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 262b978b-fb6a-4f37-9a44-daf2a83f6f77 · outbound

This paper cites Damped linear response tddft with range-separated functionals and density fitting.The Journal of Physical Chemistry A, 129(40):9453–9463, 2025.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Damped linear response tddft with range-separated functionals and density fitting.The Journal of Physical Chemistry A, 129(40):9453–9463, 2025

Reference 10

Resolution: malformed identifier; no resolver link, observed 2026-08-03T20:53:37.748435Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 5cddfa3c-8360-4eeb-bce4-da509fb5fedd · outbound

This paper cites The exact integral simplified time-dependent density functional theory (xstd-dft).

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration The exact integral simplified time-dependent density functional theory (xstd-dft)

Reference 11

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:37.884099Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 27a17717-4a70-49ea-9c72-7afc9400de55 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 12

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:38.031092Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 19815b9c-e4fe-4a4c-a420-9133317b2b29 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 13

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:38.164935Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 0bb93cfa-75fa-4db3-a968-ce601b4b5264 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 14

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:38.279858Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 9aea9c39-e711-4ba0-8a22-05e5a58ad42b · outbound

This paper cites Approximate analytical gradients and nonadiabatic couplings for the state-average density matrix renormalization group self-consistent-field method.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Approximate analytical gradients and nonadiabatic couplings for the state-average density matrix renormalization group self-consistent-field method

Reference 15

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:38.346436Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 2fc0ba05-43ae-44a1-8c61-947d9fcefb10 · outbound

This paper cites On the density matrix based approach to time-dependent density functional response theory.The Journal of Chemical Physics, 114(14):5982–5992, 2001.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration On the density matrix based approach to time-dependent density functional response theory.The Journal of Chemical Physics, 114(14):5982–5992, 2001

Reference 16

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:38.433981Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 082290a0-bc93-45f7-8e56-1f7aa87dd0b0 · outbound

This paper cites Adiabatic time-dependent density functional methods for excited state properties.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Adiabatic time-dependent density functional methods for excited state properties

Reference 17

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:38.535424Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 35120a36-7fc8-4038-b56b-4deb23be42d5 · outbound

This paper cites Analytic gradients for the coupled-cluster singles, doubles, and triples (ccsdt) model.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Analytic gradients for the coupled-cluster singles, doubles, and triples (ccsdt) model

Reference 18

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:38.605489Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation f0dffe0c-a5c9-4d3b-83b9-9ee18c5f4163 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 19

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:38.718089Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 2dae47b1-5620-4fe7-ad37-aa1709bb9210 · outbound

This paper cites A simplified tamm-dancoff density functional approach for the electronic excitation spectra of very large molecules.The Journal of chemical physics, 138(24), 2013.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration A simplified tamm-dancoff density functional approach for the electronic excitation spectra of very large molecules.The Journal of chemical physics, 138(24), 2013

Reference 20

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:38.792190Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation e984fbc9-a19a-47cc-b36c-d3851511901c · outbound

This paper cites On the evaluation of analytic energy derivatives for correlated wave functions.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration On the evaluation of analytic energy derivatives for correlated wave functions

Reference 21

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:38.922700Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation d24f94f7-9656-4bab-bf6b-02f242aa8de4 · outbound

This paper cites Analytical excited state gradients for time-dependent density functional theory plus tight binding (tddft+ tb).The Journal of Chemical Physics, 158(22), 2023.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Analytical excited state gradients for time-dependent density functional theory plus tight binding (tddft+ tb).The Journal of Chemical Physics, 158(22), 2023

Reference 22

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:39.020159Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 3f4ac829-5ab1-4c49-9be9-4a62eb078ed9 · outbound

This paper cites Spin-flip tddft for photochemistry.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Spin-flip tddft for photochemistry

Reference 23

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:39.078014Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation ed57ddbd-1f81-4abd-959c-eb2b154eda7a · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 24

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:39.141971Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 591ecb34-926b-4141-b988-a348e09ef869 · outbound

This paper cites Time-dependent density functional theory within the tamm–dancoff approximation.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Time-dependent density functional theory within the tamm–dancoff approximation

Reference 25

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:39.228631Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 5051a100-5b0b-4ed7-a061-8aafc63b4301 · outbound

This paper cites Hohenberg and W.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Hohenberg and W

Reference 26

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:39.300475Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 82ae5124-b16f-477a-ae9f-d36b7395309b · outbound

This paper cites Pedagogical overview of the fewest switches surface hopping method.ACS omega, 7(50):45810–45824, 2022.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Pedagogical overview of the fewest switches surface hopping method.ACS omega, 7(50):45810–45824, 2022

Reference 27

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:39.383307Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation caa1744b-3e5c-4131-9f70-6678842c03a1 · outbound

This paper cites Kohn–sham time-dependent density functional theory with tamm–dancoff approximation on massively parallel gpus.npj Computational Materials, 9(1):81, 2023.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Kohn–sham time-dependent density functional theory with tamm–dancoff approximation on massively parallel gpus.npj Computational Materials, 9(1):81, 2023

Reference 28

Resolution: verified exact; doi, observed 2026-08-03T20:58:27.964565Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-08T06:32:00.761636+00:00.

Observation 1a5c3b04-0665-4127-87b5-ddaaa13963f9 · outbound

This paper cites Weisburn, Alexandra Alexiu, Troy Van Voorhis, Young Min Rhee, Won-Joon Son, Hyung-Jin Kim, Jinkyu Yim, Sungmin Kim, Yeonchoo Cho, I nkook Jang, Seungmin Lee, and Dae Sin Kim.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Weisburn, Alexandra Alexiu, Troy Van Voorhis, Young Min Rhee, Won-Joon Son, Hyung-Jin Kim, Jinkyu Yim, Sungmin Kim, Yeonchoo Cho, I nkook Jang, Seungmin Lee, and Dae Sin Kim

Reference 29

Resolution: verified exact; doi, observed 2026-08-03T20:58:27.849537Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-08T06:32:00.761636+00:00.

Observation 3f629e5f-f303-4b70-9a14-92d0bf68dd3f · outbound

This paper cites Self-consistent equations including exchange and correlation effects.Phys.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Self-consistent equations including exchange and correlation effects.Phys

Reference 30

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:39.653852Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 1bbaebba-0345-472c-a018-fa4e6c1b537d · outbound

This paper cites Oliveira, and Miguel A.L.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Oliveira, and Miguel A.L

Reference 31

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:39.736080Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation ca8eca7e-b9d8-4d24-814e-6e42dfa6240c · outbound

This paper cites Recent developments in libxc—a comprehensive library of functionals for density functional theory.SoftwareX, 7:1–5, 2018.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Recent developments in libxc—a comprehensive library of functionals for density functional theory.SoftwareX, 7:1–5, 2018

Reference 32

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:39.838830Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation cb58119f-5c8a-41bf-b05b-8179029a3870 · outbound

This paper cites On the evaluation of nonadiabatic coupling matrix elements using sa-mcscf/ci wave functions and analytic gradient methods.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration On the evaluation of nonadiabatic coupling matrix elements using sa-mcscf/ci wave functions and analytic gradient methods

Reference 33

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:39.910810Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 26cc97a7-e59d-40eb-be3c-86d01b103eb4 · outbound

This paper cites Conical intersections and double excitations in time-dependent density functional theory.Molecular Physics, 104(5-7):1039–1051, 2006.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Conical intersections and double excitations in time-dependent density functional theory.Molecular Physics, 104(5-7):1039–1051, 2006

Reference 34

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.000193Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 69b38c0e-9ca0-4dfe-a2e5-988df3a56773 · outbound

This paper cites Noncollinear and spin-flip tddft in multicollinear approach.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Noncollinear and spin-flip tddft in multicollinear approach

Reference 35

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.057696Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 38ef1df4-72b8-490f-a8c5-2263fd9a897c · outbound

This paper cites Introducing gpu acceleration into the python-based simulations of chemistry framework.The Journal of Physical Chemistry A, 129(5):1459–1468, 2025.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Introducing gpu acceleration into the python-based simulations of chemistry framework.The Journal of Physical Chemistry A, 129(5):1459–1468, 2025

Reference 36

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.136933Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 2072f578-32b6-4268-9a92-86c6be9bf9fc · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 37

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.231222Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation fa79ce25-8bb4-4b5f-9881-e41b11f0f36e · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 38

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.351744Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation b57a9e8c-13bc-4e00-aafe-8aa8c7582a38 · outbound

This paper cites Analytic evaluation of nonadiabatic coupling terms at the mr-ci level.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Analytic evaluation of nonadiabatic coupling terms at the mr-ci level

Reference 39

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.445328Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 1a9198be-292e-437c-bc90-975f86575cfc · outbound

This paper cites Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.The Journal of Chemical Physics, 147(18), 2017.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.The Journal of Chemical Physics, 147(18), 2017

Reference 40

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.489565Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 93f198da-badc-4523-86a2-ad971a4d5ea7 · outbound

This paper cites Ultrafast photochemistry and electron diffraction for cyclobutanone in the s2 state: Surface hopping with time-dependent density functional theory.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Ultrafast photochemistry and electron diffraction for cyclobutanone in the s2 state: Surface hopping with time-dependent density functional theory

Reference 41

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.574230Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 528534d0-2eef-423c-8605-105a21185e01 · outbound

This paper cites Machine learning for nonadiabatic molecular dynamics: best practices and recent progress.Chemical Science, 2025.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Machine learning for nonadiabatic molecular dynamics: best practices and recent progress.Chemical Science, 2025

Reference 42

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.601024Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 893249f7-de5a-47e9-89e5-afcfccab5cdc · outbound

This paper cites Approximate time-dependent density functional theory.Journal of Molecular Structure: THEOCHEM, 914(1-3):38–49, 2009.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Approximate time-dependent density functional theory.Journal of Molecular Structure: THEOCHEM, 914(1-3):38–49, 2009

Reference 43

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.649687Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 07e2a279-fcfd-45a2-bfc9-e573404a5299 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 44

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.729180Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 18360bc5-e2bd-491e-aa2f-9c826085615f · outbound

This paper cites Exact non-adiabatic coupling vectors for the time-dependent density functional based tight-binding method.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Exact non-adiabatic coupling vectors for the time-dependent density functional based tight-binding method

Reference 45

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.798914Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation ebf8b44f-7f61-437b-9a83-1adcb85e23a6 · outbound

This paper cites Tight-binding approach to time-dependent density-functional response theory.Physical Review B, 63(8):085108, 2001.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Tight-binding approach to time-dependent density-functional response theory.Physical Review B, 63(8):085108, 2001

Reference 46

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.873987Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation e61f64ac-e89c-406c-a3eb-73e9b7eed01c · outbound

This paper cites First-order derivative couplings between excited states from adiabatic tddft response theory.The Journal of chemical physics, 142(6), 2015.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration First-order derivative couplings between excited states from adiabatic tddft response theory.The Journal of chemical physics, 142(6), 2015

Reference 47

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.944626Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation b3616ebb-b8bd-4614-93be-f45fa44ebd0d · outbound

This paper cites Surface hopping with cumulative probabilities: Even sampling and improved reproducibility.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Surface hopping with cumulative probabilities: Even sampling and improved reproducibility

Reference 48

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:40.996142Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 664cd384-9a0b-4fdb-831d-a5b93b01cabd · outbound

This paper cites Treatment of nonadiabatic dynamics by on-the-fly trajectory surface hopping dynamics.Acta Phys.-Chim.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Treatment of nonadiabatic dynamics by on-the-fly trajectory surface hopping dynamics.Acta Phys.-Chim

Reference 49

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:41.046790Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation e4af8dc2-e9de-4f65-a78a-962982a5b703 · outbound

This paper cites Best practices for nonadiabatic molecular dynamics simulations.arXiv preprint arXiv:2508.05263, 2025.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Best practices for nonadiabatic molecular dynamics simulations.arXiv preprint arXiv:2508.05263, 2025

Reference 50

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:41.206416Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation e9d6b173-7d04-4054-9c2c-165ee9bacefe · outbound

This paper cites Enhancing PySCF-based Quantum Chemistry Simulations with Modern Hardware, Algorithms, and Python Tools.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Enhancing PySCF-based Quantum Chemistry Simulations with Modern Hardware, Algorithms, and Python Tools

Reference 51

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:41.294142Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 72d89d69-803c-4109-99ab-c2777960fe66 · outbound

This paper cites Noncollinear density functional theory.Physical Review Research, 5(1):013036, 2023.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Noncollinear density functional theory.Physical Review Research, 5(1):013036, 2023

Reference 52

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:41.434740Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 26f4f962-ab9e-4be3-b1cf-c0fb2320726b · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 53

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:41.668736Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation f9d85cd4-12a3-4a45-9aa9-a9cbd6600a6f · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 54

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:41.819293Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 014c7990-18c1-4f09-9b70-b4c8443be2fb · outbound

This paper cites Turbo charging time-dependent density-functional theory with lanczos chains.The Journal of Chemical Physics, 128(15), 2008.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Turbo charging time-dependent density-functional theory with lanczos chains.The Journal of Chemical Physics, 128(15), 2008

Reference 55

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:41.907939Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation d32f417f-2305-4994-a7f4-cb4e780e88e5 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 56

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:41.992055Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 18eea976-9d1f-4d43-bff9-3ddc8affe835 · outbound

This paper cites Density-functional theory for time-dependent systems.Physical review letters, 52(12):997, 1984.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Density-functional theory for time-dependent systems.Physical review letters, 52(12):997, 1984

Reference 57

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:42.084671Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 17063bc8-74fc-4987-a8e3-ff627e200bb0 · outbound

This paper cites Ryabinkin, Jayashree Nagesh, and Artur F.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Ryabinkin, Jayashree Nagesh, and Artur F

Reference 58

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:42.133648Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 90d57fb9-8ef7-4add-8247-ba0e9d8859be · outbound

This paper cites Ibele, Richard Bleyer, and Leticia González.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Ibele, Richard Bleyer, and Leticia González

Reference 59

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:42.292454Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 6f77432f-bfe4-40a2-97a7-3d1a456d56f0 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 60

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:42.497778Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 273d58e3-fa5e-47c9-8d72-de7221737590 · outbound

This paper cites Benchmarks for electronically excited states: Caspt2, cc2, ccsd, and cc3.The Journal of chemical physics, 128(13), 2008.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Benchmarks for electronically excited states: Caspt2, cc2, ccsd, and cc3.The Journal of chemical physics, 128(13), 2008

Reference 61

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:42.569549Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 8de50053-a13a-46e1-963a-7256e40cf1be · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 62

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:42.760799Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 42898251-5327-4d46-b554-9da22e462084 · outbound

This paper cites Analytic energy derivatives for ionized states described by the equation-of- motion coupled cluster method.The Journal of chemical physics, 101(10):8938–8944, 1994.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Analytic energy derivatives for ionized states described by the equation-of- motion coupled cluster method.The Journal of chemical physics, 101(10):8938–8944, 1994

Reference 63

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:42.903543Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 8895b747-a651-4793-8503-d163b1963852 · outbound

This paper cites The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: Nonadiabatic derivative couplings and diabatic electronic couplings.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: Nonadiabatic derivative couplings and diabatic electronic couplings

Reference 64

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:42.968215Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation d96b15e2-46a0-494c-943e-6c622752b76d · outbound

This paper cites Understanding the surface hopping view of electronic transitions and decoherence.Annual review of physical chemistry, 67(1): 387–417, 2016.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Understanding the surface hopping view of electronic transitions and decoherence.Annual review of physical chemistry, 67(1): 387–417, 2016

Reference 65

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:43.061867Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 7256494e-92c3-4de3-b244-a6272867d97a · outbound

This paper cites Recent developments in the pyscf program package.The Journal of chemical physics, 153(2), 2020.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Recent developments in the pyscf program package.The Journal of chemical physics, 153(2), 2020

Reference 66

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:43.196047Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation ba12ad13-ad87-4a45-9ba4-6c3792d5d142 · outbound

This paper cites Analytic evaluation of the nonadiabatic coupling vector between excited states using equation-of-motion coupled-cluster theory.The Journal of chemical physics, 131(12), 2009.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Analytic evaluation of the nonadiabatic coupling vector between excited states using equation-of-motion coupled-cluster theory.The Journal of chemical physics, 131(12), 2009

Reference 67

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:43.346743Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 3439b6fd-5b63-4658-978e-39576b4c3586 · outbound

This paper cites Trajectory surface hopping within linear response time-dependent density-functional theory.Physical review letters, 98(2):023001, 2007.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Trajectory surface hopping within linear response time-dependent density-functional theory.Physical review letters, 98(2):023001, 2007

Reference 68

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:43.543556Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation f83f78f7-ed7e-484d-974e-25ee47bfa8a6 · outbound

This paper cites Molecular dynamics with electronic transitions.The Journal of Chemical Physics, 93(2):1061–1071, 1990.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Molecular dynamics with electronic transitions.The Journal of Chemical Physics, 93(2):1061–1071, 1990

Reference 69

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:43.751077Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 55d2c710-f15f-4a28-94a2-54dfabf0ec5d · outbound

This paper cites Perspective: Nonadiabatic dynamics theory.The Journal of chemical physics, 137(22), 2012.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Perspective: Nonadiabatic dynamics theory.The Journal of chemical physics, 137(22), 2012

Reference 70

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:43.863147Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 81827f6c-519f-4248-89c0-79ae68984df6 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 71

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:44.094306Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation e3c997a3-3f07-462f-966a-3d5864ac7761 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 72

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:44.285180Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 9719d1f2-0e8b-457e-990d-641ae8766b49 · outbound

This paper cites Efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy.Physical review letters, 96(11):113001, 2006.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy.Physical review letters, 96(11):113001, 2006

Reference 73

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:44.424823Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation d06d91a0-b562-4ce0-a5d9-c86cb92dabe3 · outbound

This paper cites Nac-tddft: Time-dependent density functional theory for nonadiabatic couplings.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Nac-tddft: Time-dependent density functional theory for nonadiabatic couplings

Reference 74

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:44.536455Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 6dfce09c-044e-49a2-a87a-bb5c6afa1e7a · outbound

This paper cites Hartree–fock exchange fitting basis sets for h to rn.Journal of computational chemistry, 29(2): 167–175, 2008.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Hartree–fock exchange fitting basis sets for h to rn.Journal of computational chemistry, 29(2): 167–175, 2008

Reference 75

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:44.716834Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 3e1e09f1-282b-47cb-8707-f2c7259551f9 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 76

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:44.873511Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation b2106ca1-28b0-44b5-80ea-46bf4ea20f6f · outbound

This paper cites On the quantum correction for thermodynamic equilibrium.Physical review, 40(5):749, 1932.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration On the quantum correction for thermodynamic equilibrium.Physical review, 40(5):749, 1932

Reference 77

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:44.967848Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 17baf3ca-5992-4773-ba65-4b7f878dd725 · outbound

This paper cites from fragments to molecule.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration from fragments to molecule

Reference 78

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:45.147775Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation e0a4f56b-535d-45a6-89ed-56abb432026b · outbound

This paper cites Enhancing gpu-acceleration in the python-based simulations of chemistry frameworks.Wiley Interdisciplinary Reviews: Computational Molecular Science, 15(2):e70008, 2025.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Enhancing gpu-acceleration in the python-based simulations of chemistry frameworks.Wiley Interdisciplinary Reviews: Computational Molecular Science, 15(2):e70008, 2025

Reference 79

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:45.240651Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 8693e974-d340-4522-bcd0-f14ddd63f315 · outbound

This paper cites Nonadiabatic molecular dynamics simulations based on time-dependent density functional tight-binding method.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Nonadiabatic molecular dynamics simulations based on time-dependent density functional tight-binding method

Reference 80

Resolution: verified exact; doi, observed 2026-08-03T20:58:27.391392Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-08T06:32:00.761636+00:00.

Observation 77cc29d4-1342-457c-abce-3d6698b5a97b · outbound

This paper cites Nonadiabatic molecular dynamics simulations based on time-dependent density functional tight-binding method.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Nonadiabatic molecular dynamics simulations based on time-dependent density functional tight-binding method

Reference 81

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:45.416252Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation bd493ce9-c275-4b19-b774-91aea73b03a0 · outbound

This paper cites Noncollinear spin-flip tddft for potential energy surface crossings: Conical intersections and spin crossings.Journal of chemical theory and computation, 0(0):null, 0.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Noncollinear spin-flip tddft for potential energy surface crossings: Conical intersections and spin crossings.Journal of chemical theory and computation, 0(0):null, 0

Reference 82

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:45.492783Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 417648a8-f316-4d17-89f3-48379993df57 · outbound

This paper cites Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory.The Journal of Chemical Physics, 141(6), 2014.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory.The Journal of Chemical Physics, 141(6), 2014

Reference 83

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:45.564520Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 54de7d4b-9f20-476b-a5ec-859e30d3f6f1 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 84

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:45.628656Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 1fd9094d-0512-4a65-9156-28089d4eb654 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 85

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:45.767318Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation f971c1e6-940d-4b8d-b0da-ea186d09ec4b · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 86

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:45.840473Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 1d4f3b23-a1e0-4877-a38e-bd561e5ccec8 · outbound

This paper cites Minimal auxiliary basis set approach for the electronic excitation spectra of organic molecules.The Journal of Physical Chemistry Letters, 14(7):1968–1976, 2023.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Minimal auxiliary basis set approach for the electronic excitation spectra of organic molecules.The Journal of Physical Chemistry Letters, 14(7):1968–1976, 2023

Reference 87

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:45.904165Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 4223195a-7e49-4a7c-a9ea-12a5238e158f · outbound

This paper cites Linear-scaling time-dependent density-functional theory in the linear response formalism.The Journal of Chemical Physics, 139(6), 2013.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Linear-scaling time-dependent density-functional theory in the linear response formalism.The Journal of Chemical Physics, 139(6), 2013

Reference 88

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:45.972176Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 87112818-f60b-4066-af08-375630b3e1c0 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 91

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:46.053731Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 858101c9-6fa5-412a-95c3-c5ab88e6e519 · outbound

This paper cites Deviations from the numerical reference consistently fall within the range of10 −7 to10 −4 a−1 0 , which strongly validates the present implementation.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Deviations from the numerical reference consistently fall within the range of10 −7 to10 −4 a−1 0 , which strongly validates the present implementation

Reference 92

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:46.111110Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation bd07fc9c-3fa7-45af-a922-b3a0e56fc222 · outbound

This paper cites an unresolved cited work.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration Unresolved cited work

Reference 93

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:46.179145Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 37543795-cf5b-441c-bca9-3120374aba47 · outbound

This paper cites URLhttps://doi.org/10.1021/acs.jpclett.5b02062.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration URLhttps://doi.org/10.1021/acs.jpclett.5b02062

Reference 2015

Resolution: unresolved; no resolver link, observed 2026-08-03T20:53:42.237941Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 261bc4a7-c37f-43e7-bc2e-c1a8fb6236f0 · outbound

This paper cites doi: 10.1021/acs.jctc.5c00737.

Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration doi: 10.1021/acs.jctc.5c00737

Reference 2025

Resolution: verified exact; doi, observed 2026-08-03T20:58:27.688189Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-08T06:32:00.761636+00:00.

Coverage vector

Reference resolution

Outbound references

Pith citing papers