Reduced local energy for atomic Hartree-Fock wavefunctions
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | King, Frederick W., Kelly, Michael K., LeGore, Mary A., Poitzsch, Martin E. |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 1984
|
| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/vpxj4s8xtj |
Daftar Isi:
- Title of program: REDUCED LOCAL ENERGY FOR ATOMS Catalogue Id: ACCE_v1_0 Nature of problem The reduced local energy (diagonal elements of the reduced local energy 1-matrix) is defined in position space for an n electron system (N>2). An analogous definition holds in the Hartree-Fock approximation. The program evaluates ELHF(r1), the Hartree-Fock reduced local energy, for atomic systems. Versions of this program held in the CPC repository in Mendeley Data ACCE_v1_0; REDUCED LOCAL ENERGY FOR ATOMS; 10.1016/0010-4655(84)90073-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)