A Kohn-Sham method involving the direct determination of the Coulomb potential on a numerical grid
- 1 November 1994
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 230 (1-2) , 17-24
- https://doi.org/10.1016/0009-2614(94)01160-5
Abstract
No abstract availableThis publication has 34 references indexed in Scilit:
- A general purpose exchange-correlation energy functionalThe Journal of Chemical Physics, 1993
- Density-functional thermochemistry. III. The role of exact exchangeThe Journal of Chemical Physics, 1993
- Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energiesThe Journal of Chemical Physics, 1992
- New algorithm for the optimization of geometries in local density functional theoryChemical Physics Letters, 1990
- Principles for a direct SCF approach to LICAO–MOab‐initio calculationsJournal of Computational Chemistry, 1982
- On first-row diatomic molecules and local density modelsThe Journal of Chemical Physics, 1979
- On some approximations in applications of Xα theoryThe Journal of Chemical Physics, 1979
- Total energies of molecules with the local density functional approximation and gaussian basis setsChemical Physics Letters, 1979
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964