Published June 1, 1975
| Version v1
Journal article
Electron density in Moller--Plesset theory
Creators
- 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
- DOI
- 10.1063/1.430368;
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