Electron correlation described by extended geminal models

1 July 1988

journal article
research article
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 89 (1) , 441-445
https://doi.org/10.1063/1.455486

Abstract

Within the framework of the general extended geminal models, two new approximate models are introduced. Compared with previous models, the double pair correction terms {ε K L } are given a more accurate representation. The models are tested against full CI calculations on the beryllium atom, the neon atom, and the beryllium dimer.

Keywords

ELECTRON CORRELATION

This publication has 35 references indexed in Scilit:

Intermolecular potentials calculated by an extended geminal model: Theory
The Journal of Chemical Physics, 1986
Derivation of an extended geminal model
The Journal of Chemical Physics, 1983
Electron correlation described by extended geminal models: The EXGEM2 and EXGEM3 models
International Journal of Quantum Chemistry, 1982
An electron pair operator approach to coupled cluster wave functions. Application to He2, Be2, and Mg2 and comparison with CEPA methods
The Journal of Chemical Physics, 1981
Molecular Applications of Coupled Cluster and Many-Body Perturbation Methods
Physica Scripta, 1980
Electron correlation theories and their application to the study of simple reaction potential surfaces
International Journal of Quantum Chemistry, 1978
A semi‐empirical MO theory for ionization potentials and electron affinities
International Journal of Quantum Chemistry, 1977
Electron correlation in small metal clusters. Application of a theory of self-consistent electron pairs to the Be4 system
The Journal of Chemical Physics, 1976
Bound states of a many-particle system
Nuclear Physics, 1958
Many-Body Problem for Strongly Interacting Particles. II. Linked Cluster Expansion
Physical Review B, 1955