Published June 1, 1975 | Version v1
Journal article

Electron density in Moller--Plesset theory

  • 1. Carnegie--Mellon University, Department of Chemistry, Pittsburgh, Pennsylvania 15213

Description

The Moller--Plesset theorem states that for the electronic Hamiltonian in the form H = summation/subp/F/subp/+V, where the eigenfunctions of F/subp/ are the Hartree--Fock molecular spin orbitals and the eigenvalues are the one-electron energies, by treating V as a perturbation the first order term in the expansion of the electron density vanishes. In spite of this, some one-electron properties are not given at the H--F level. This Note presents the expression for the second order correction to the electron density

Additional details

Identifiers

Publishing Information

Journal Title
The Journal of Chemical Physics
Journal Volume
62
Journal Issue
11
Series
J. Chem. Phys.
Journal Page Range
4566-4566
ISSN
0021-9606

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
6207569
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMIC MODELS; ELECTRON DENSITY; EXPECTATION VALUE; HARTREE-FOCK METHOD; WAVE FUNCTIONS
Descriptors DEC
FUNCTIONS; MATHEMATICAL MODELS

Optional Information

Notes
Updated automatically by Metadata and Full-Text Enrichment Agent