Complete Calculations of the Electronic Energies of Solids
- 3 November 1969
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 23 (18) , 1026-1030
- https://doi.org/10.1103/physrevlett.23.1026
Abstract
A method is described for the complete calculation of electronic energies in crystalline solids without approximating overlap, electron-repulsion, or exchange contributions. The practicality of the method is confirmed by preliminary results, which also indicate reasons for the considerable success of independent-electron methods.Keywords
This publication has 3 references indexed in Scilit:
- Wannier Representation of Energy in MetalsPhysical Review B, 1969
- On the Calculation of Multicenter Two-Electron Repulsion Integrals Involving Slater FunctionsThe Journal of Chemical Physics, 1964
- Theory of Brillouin Zones and Symmetry Properties of Wave Functions in CrystalsPhysical Review B, 1936