Paper Citation Record · LEDGER

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking

As of 21 August 2026, this Paper Citation Record lists 100 of 121 outbound references and 11 inbound Pith citation observations for arXiv:2506.19960.

A citation records a reference. It does not transfer a finding from one paper to another.

pith.paper-citation-record.v1
2506.19960 v1

Coverage vector

measured 100 of 121 reference resolution

Typed states for the displayed outbound observations.

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One-hop event checks from named stored sources.

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measured 11 of 11 inbound itemization

Pith citing papers itemized under the disclosed page cap.

Source: paper_references, paper_reference_links, observed 2026-08-16T00:34:51.512493Z

measured 1 of 1 external citation measurements

A source-named dated measurement, never combined with another source.

Source: arxiv_reference, observed 2026-08-05T02:28:24.338817Z

Reference resolution

100 of 121 outbound references displayed

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Outbound references

Observation a1b133cc-3559-4844-b7bd-f72f464376ce · outbound

This paper cites An undulatory theory of the mechanics of atoms and molecules.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking An undulatory theory of the mechanics of atoms and molecules

Reference 1

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This paper cites Noniterative energy cor- rections through fifth-order to the coupled cluster singles and doubles method.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Noniterative energy cor- rections through fifth-order to the coupled cluster singles and doubles method

Reference 2

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Observation e59f8217-9c9c-4e4b-95f1-5d61168659bc · outbound

This paper cites Ab initio quantum chemistry with neural- network wavefunctions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Ab initio quantum chemistry with neural- network wavefunctions

Reference 3

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Observation 3d758a22-130e-4959-a5cf-25418626c0ec · outbound

This paper cites Deep-neural-network solution of the electronic Schr¨ odinger equation.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Deep-neural-network solution of the electronic Schr¨ odinger equation

Reference 4

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This paper cites Ab initio solution of the many-electron Schr¨ odinger equation with deep neural networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Ab initio solution of the many-electron Schr¨ odinger equation with deep neural networks

Reference 5

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Unresolved cited work

Reference 6

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Observation 404ba2cc-088c-47a8-bb70-4cf716f53067 · outbound

This paper cites A Self-Attention Ansatz for Ab-initio Quantum Chemistry.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A Self-Attention Ansatz for Ab-initio Quantum Chemistry

Reference 7

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This paper cites Gold-standard solutions to the Schr¨ odinger equation using deep learning: How much physics do we need?.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Gold-standard solutions to the Schr¨ odinger equation using deep learning: How much physics do we need?

Reference 8

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This paper cites DeepQMC: An open-source software suite for variational optimization of deep-learning molecular wave functions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking DeepQMC: An open-source software suite for variational optimization of deep-learning molecular wave functions

Reference 9

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Observation d1988174-aad6-42ce-9201-3e5219a2313e · outbound

This paper cites Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation

Reference 10

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This paper cites Fermionic neural network with effective core potential.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Fermionic neural network with effective core potential

Reference 12

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This paper cites Neural network ansatz for periodic wave functions and the homogeneous electron gas.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Neural network ansatz for periodic wave functions and the homogeneous electron gas

Reference 13

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This paper cites Discovering quantum phase transitions with fermionic neural networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Discovering quantum phase transitions with fermionic neural networks

Reference 14

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This paper cites Neural-network quantum states for ultra-cold Fermi gases.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Neural-network quantum states for ultra-cold Fermi gases

Reference 15

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This paper cites A computational framework for neural network- based variational Monte Carlo with Forward Laplacian.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A computational framework for neural network- based variational Monte Carlo with Forward Laplacian

Reference 16

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This paper cites An improved penalty-based excited-state variational Monte Carlo approach with deep-learning ansatzes.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking An improved penalty-based excited-state variational Monte Carlo approach with deep-learning ansatzes

Reference 17

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This paper cites Accurate computation of quantum excited states with neural networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Accurate computation of quantum excited states with neural networks

Reference 18

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Observation 96749c52-45ae-4e45-8886-07536ce7afc0 · outbound

This paper cites Highly accurate real-space electron densities with neural networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Highly accurate real-space electron densities with neural networks

Reference 19

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Observation 438db3e9-44db-425d-9c5c-e08e89686790 · outbound

This paper cites Accurate Ab-initio Neural-network Solutions to Large-Scale Electronic Structure Problems.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Accurate Ab-initio Neural-network Solutions to Large-Scale Electronic Structure Problems

Reference 20

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This paper cites Solving the electronic Schr¨ odinger equation for multiple nuclear geometries with weight-sharing deep neural 10 networks.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Solving the electronic Schr¨ odinger equation for multiple nuclear geometries with weight-sharing deep neural 10 networks

Reference 21

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This paper cites Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions

Reference 22

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Generalizing neural wave func- tions

Reference 23

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Neural Pfaffians: Solving Many Many-Electron Schr\"odinger Equations

Reference 24

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This paper cites Ab-initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Ab-initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo

Reference 25

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Variational Monte Carlo on a Budget—Fine-tuning pre-trained Neural Wavefunc- tions

Reference 26

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Towards a transfer- able fermionic neural wavefunction for molecules

Reference 27

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Kinetics of diene reactions at high temperatures

Reference 28

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Thermal decompo- sition of cyclohexene

Reference 29

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking The Diels–Alder Re- action of Ethene and 1,3-Butadiene: An Extended Multirefer- ence ab initio Investigation

Reference 30

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A thorough understanding of the Diels—Alder reaction of 1,3-butadiene and ethylene

Reference 31

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This paper cites Active space and basis set effects in CASPT2 models of the 1,3-butadiene-ethene cycloaddition and the 1,3-butadiene dimerization.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Active space and basis set effects in CASPT2 models of the 1,3-butadiene-ethene cycloaddition and the 1,3-butadiene dimerization

Reference 32

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Synthesen in der hydroaromatischen Reihe

Reference 33

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This paper cites BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds

Reference 34

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Attention Is All You Need

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Kharya.TensorFloat-32 in the A100 GPU Accelerates AI Training, HPC up to 20x

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Gao et al.folx - Forward Laplacian for JAX

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking FlashAttention: Fast and Memory-Efficient Exact Attention with IO-Awareness

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking 2023.url: https://docs.jax.dev/en/latest/pallas/index.html

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Representations of knowl- edge in complex systems

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Multirefer- ence character for 3d transition-metal-containing molecules

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Curriculum learning

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Quantum Monte Carlo simulations of solids

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Continuum variational and diffusion quan- tum Monte Carlo calculations

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Solving the quantum many-body problem with artificial neural networks

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Molecular orbital theory

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Localized molecular orbitals for poly- atomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Helgaker, P

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Localizability of dynamic electron correlation

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Large scale and linear scaling DFT with the CONQUEST code

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Linear-scaling local natural orbital CCSD(T) approach for open-shell systems: Algorithms, benchmarks, and large-scale applications

Reference 51

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking On the concepts of connectivity, separability, and consistency: An illustration by partitioned diagrams and nu- merical probing

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Bradbury et al.JAX: composable transformations of Python+NumPy programs

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Spin contamination in quantum Monte Carlo wave functions

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking On the eigenfunctions of many-particle systems in quantum mechanics

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Layer normalization

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Learning Deep Transformer Models for Machine Translation

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Do transformers really perform badly for graph representation?

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This paper cites Neural message passing for quantum chem- istry.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Neural message passing for quantum chem- istry

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Message passing neural networks

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Equation of state calculations by fast computing machines

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This paper cites Generative Modeling by Estimating Gradients of the Data Distribution.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Generative Modeling by Estimating Gradients of the Data Distribution

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Exponential convergence of Langevin distributions and their discrete approximations

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This paper cites Optimal scaling of discrete approximations to Langevin diffusions.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Optimal scaling of discrete approximations to Langevin diffusions

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Annealed importance sampling

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This paper cites Bayesian learning via stochastic gradient Langevin dynamics.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Bayesian learning via stochastic gradient Langevin dynamics

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Observation 67982e6c-2635-4d4d-aa28-838fb7093430 · outbound

This paper cites Optimizing neural networks with kronecker-factored approximate curvature.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Optimizing neural networks with kronecker-factored approximate curvature

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This paper cites Botev and J.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Botev and J

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Resolution: verified fuzzy; raw_fallback, observed 2026-08-15T18:28:33.263340Z

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Clayden, N

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Observation cf5dbbdc-a75f-4d49-982b-898ab1bacd67 · outbound

This paper cites 200 years of lithium and 100 years of organolithium chemistry.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking 200 years of lithium and 100 years of organolithium chemistry

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking The rise of boron-containing compounds: advancements in synthesis, medicinal chemistry, and emerging pharmacology

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Observation c400c1e4-911d-401b-a866-e818052edeab · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Achieving chemical accu- racy with coupled-cluster theory

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Observation 1b3f7e24-6cc5-4c51-965e-513b5e8650c5 · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Practical conversion from torsion space to Cartesian space for in silico protein synthesis

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This paper cites Adaptive rejection sampling for Gibbs sampling.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Adaptive rejection sampling for Gibbs sampling

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This paper cites Robust estimation of a location parameter.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Robust estimation of a location parameter

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Observation 9fb3fbb0-2209-41fa-80fd-1d250606a3e3 · outbound

This paper cites PySCF: the Python-based simulations of chem- istry framework.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking PySCF: the Python-based simulations of chem- istry framework

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Nudged elastic band method for finding minimum energy paths of transitions

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This paper cites A climbing image nudged elastic band method for finding saddle points and minimum energy paths.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A climbing image nudged elastic band method for finding saddle points and minimum energy paths

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This paper cites An automated nudged elastic band method.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking An automated nudged elastic band method

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Observation 8997e3f0-d53f-4606-bf87-0487cd603d0a · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking The atomic simulation environment—a Python library for working with atoms

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Observation 2e2d65be-e296-42f0-92ef-6e8d87e9ebe2 · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Generalized gradi- ent approximation made simple

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

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Resolution: verified fuzzy; raw_fallback, observed 2026-08-15T18:28:32.463770Z

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Effect of the damping function in dispersion corrected density functional theory

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Resolution: verified fuzzy; raw_fallback, observed 2026-08-15T18:28:32.427781Z

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Observation e186d0f0-5f1e-40b9-87f2-f1af8c80a81a · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Software update: the ORCA program system, ver- sion 5.0

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Improved initial guess for minimum energy path calculations

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Resolution: verified fuzzy; raw_fallback, observed 2026-08-15T18:28:32.333058Z

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Observation e9074061-36f1-4c84-96c3-3916aa64d6ec · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Structural relaxation made simple

Reference 87

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Observation b13132f5-50d0-408c-a562-4b6bdf24e234 · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Kohn-Sham density functional theory: predicting and understanding chemistry

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Resolution: verified fuzzy; raw_fallback, observed 2026-08-15T18:28:32.189013Z

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This paper cites Self-consistent field theory for open shells of electronic systems.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Self-consistent field theory for open shells of electronic systems

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Resolution: verified fuzzy; raw_fallback, observed 2026-08-15T18:28:32.170185Z

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Observation abbb48e3-a27d-4d55-a46d-e4c592af20d0 · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking A general second order complete active space self-consistent-field solver for large-scale systems

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Resolution: verified fuzzy; raw_fallback, observed 2026-08-15T18:28:32.151168Z

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Observation fbd56932-0ad6-4368-83d1-e480d5de3ba1 · outbound

This paper cites Introduction of n-electron valence states for multireference perturbation theory.

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Introduction of n-electron valence states for multireference perturbation theory

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Observation 5630190c-5ba1-4114-a578-7ade9bca9721 · outbound

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Observation 2f637a79-35d5-461e-ac2f-afb66a5135a6 · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Electron Affinities of the First-row Atoms Revisited. Systematic Basis Sets and Wave Functions

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Observation ccb6899f-e817-4f58-937d-a1ac4c26b1a1 · outbound

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Observation 8e5b5949-e8ad-4772-b9ec-3cd94c3493ea · outbound

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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking Density-functional thermochemistry. III. The role of exact exchange

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Resolution: verified fuzzy; raw_fallback, observed 2026-08-15T18:28:32.016791Z

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Observation ad699146-5a4e-472f-b18d-f85d1537687c · outbound

This paper cites Development of the Colle- Salvetti correlation-energy formula into a functional of the electron density.

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Observation ef5e42dc-f5cf-48d7-8cbc-cb2749856c5b · outbound

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Observation 9c70bdfd-a3d8-45de-9038-f860cbfb8164 · outbound

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Observation 5bc4b2be-0d2f-4aea-9583-c20b501e6896 · outbound

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Observation 930247f4-038f-4578-b4fe-6fc57839b3d2 · outbound

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Observation 74ef04c1-d94a-4652-8c9d-c51f0b7f41c7 · inbound

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Reference 22

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Observation cb56b2e1-c06b-4ed5-9b16-2f7ae6e8df25 · inbound

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Reference 20

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Reference 18

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Observation 24e3891a-2d56-487a-bfa5-fd5be5117a39 · inbound

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Observation 8056bacb-152d-4221-bb5b-38e64d960830 · inbound

Relaxation-driven flat bands and topology in moir\'e transition metal dichalcogenide heterobilayers cites this paper.

Relaxation-driven flat bands and topology in moir\'e transition metal dichalcogenide heterobilayers An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking

Reference 55

Resolution: unresolved; no resolver link, observed 2026-08-14T04:26:32.696214Z

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Observation 1e2d5afb-20b9-43fd-b656-0b5f6ea71c86 · inbound

Hamilton-Zero: A Neural Tensor-Network Foundation Model for Ground States of Arbitrary Quadratic Qubit Hamiltonians cites this paper.

Hamilton-Zero: A Neural Tensor-Network Foundation Model for Ground States of Arbitrary Quadratic Qubit Hamiltonians An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking

Reference 36

Resolution: unresolved; no resolver link, observed 2026-08-16T00:34:51.512493Z

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