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Jan M. L. Martin

Identifiers

  • name variant Jan M. L. Martin 0.60 · backfill

Papers (26)

  1. pANO-F12: An atomic natural orbital-inspired route to more compact basis sets for F12 explicitly correlated methods physics.chem-ph · 2026 · author #2
  2. FNO-CCSDTQ(5)$_\Lambda$ as an economical alternative for connected quintuple excitations contributions in coupled cluster thermochemistry physics.chem-ph · 2026 · author #4
  3. A new open-shell CCSDTQ implementation and its application to the basis set convergence of post-CCSDT(Q) corrections in computational thermochemistry physics.chem-ph · 2026 · author #3
  4. Coupling between thermochemical contributions of subvalence correlation and of higher-order post-CCSD(T) correlation effects -- a step toward `W5 theory' physics.chem-ph · 2026 · author #5
  5. Toward an affordable density-based measure for the quality of a coupled cluster calculation physics.chem-ph · 2025 · author #3
  6. A Simple Model For Scalar Relativistic Corrections To Molecular Total Atomization Energies physics.chem-ph · 2018 · author #1
  7. Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies physics.chem-ph · 2018 · author #5
  8. Prediction of electronic couplings for molecular charge transfer using optimally-tuned range-separated hybrid functionals physics.chem-ph · 2018 · author #3
  9. Probing the basis set limit for thermochemical contributions of inner-shell correlation: Balance of core-core and core-valence contributions physics.chem-ph · 2018 · author #2
  10. The aug-cc-pVnZ-F12 Basis Set Family: Correlation Consistent Basis Sets for Explicitly Correlated Benchmark Calculations on Anions and Noncovalent Complexes physics.chem-ph · 2017 · author #3
  11. The cc-pV5Z-F12 basis set: reaching the basis set limit in explicitly correlated calculations physics.chem-ph · 2014 · author #3
  12. Atomization energies of the carbon clusters Cn (n=2--10) revisited by means of W4 theory as well as density functional, Gn, and CBS methods physics.chem-ph · 2008 · author #3
  13. W4 thermochemistry of P_2 and P_4. Is the CODATA heat of formation of phosphorus atom correct? physics.chem-ph · 2007 · author #2
  14. Basis set convergence of post-CCSD contributions to molecular atomization energies physics.chem-ph · 2007 · author #3
  15. W4 theory for computational thermochemistry: in pursuit of confident sub-kJ/mol predictions physics.chem-ph · 2006 · author #3
  16. Comment on: "Estimating the Hartree-Fock limit from finite basis set calculations" [Jensen F (2005) Theor Chem Acc 113:267] physics.chem-ph · 2005 · author #2
  17. Heats of formation of perchloric acid, HClO$_4$, and perchloric anhydride, Cl$_2$O$_7$. Probing the limits of W1 and W2 theory physics.chem-ph · 2005 · author #1
  18. Anharmonic force fields of perchloric acid, HClO$_4$, and perchloric anhydride, Cl$_2$O$_7$. An extreme case of inner polarization physics.chem-ph · 2005 · author #2
  19. Assessment of Various Density Functionals and Basis Sets for the Calculation of Molecular Anharmonic Force Fields physics.chem-ph · 2005 · author #3
  20. Anharmonic force fields and thermodynamic functions using density functional theory physics.chem-ph · 2004 · author #3
  21. Development of Novel Density Functionals for Thermochemical Kinetics physics.chem-ph · 2004 · author #2
  22. The Role of the Basis Set: Assessing Density Functional Theory physics.chem-ph · 2003 · author #2
  23. Alkali and Alkaline Earth Metal Compounds: Core-Valence Basis Sets and Importance of Subvalence Correlation physics.chem-ph · 2003 · author #3
  24. Definitive heat of formation of methylenimine, CH2=NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory physics.chem-ph · 2001 · author #2
  25. Anharmonic force field and vibrational frequencies of tetrafluoromethane (CF$_4$) and tetrafluorosilane (SiF$_4$) physics.chem-ph · 1999 · author #3
  26. Towards standard methods for benchmark quality ab initio thermochemistry --- W1 and W2 theory physics.chem-ph · 1999 · author #1

Mentions

  • 1411.6827 #3 · backfill · confidence 0.70 Jan M. L. Martin
  • 2605.22543 #2 · arxiv_oai · confidence 0.70 Jan M. L. Martin
  • 2605.19874 #4 · arxiv_oai · confidence 0.70 Jan M. L. Martin
  • 2605.19860 #3 · arxiv_oai · confidence 0.70 Jan M. L. Martin
  • 2509.04429 #3 · arxiv_oai · confidence 0.70 Jan M. L. Martin
  • 0812.3852 #3 · backfill · confidence 0.70 Jan M. L. Martin
  • 0706.4217 #2 · backfill · confidence 0.70 Jan M. L. Martin
  • 0706.1757 #3 · backfill · confidence 0.70 Jan M. L. Martin

Frequent Coauthors