Published 1986
| Version v1
Book
An approach to electron correlation beyond the local spin density approximation
Description
The authors derive an expression for E /sub xc/ (rho) which is entirely general and applies to any particle density and in particular to any degree of inhomogeneity. In the next section, the authors derive one-particle equations much along the lines of the paper by Kohn and Sham. Then the authors assume an approximate form for f /sub s,s/ (r'r) which conforms to the N-representability constraints and guarantees the correct image potential dependence at solid surfaces. In conclusion, it was shown that the one-particle equations provide a rigorous scheme for the calculation of ground state properties of N-electron systems
Additional details
Publishing Information
- Publisher
- Plenum Press.
- Imprint Place
- New York, NY (USA)
- Imprint Title
- Local density approximations in quantum chemistry and solid state physics
- Journal Page Range
- p. 245-262.
Conference
- Title
- Local density approximations in quantum chemistry and solid state theory conference.
- Dates
- 10-12 Jun 1982.
- Place
- Copenhagen (Denmark).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 18062721
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ATOMIC MODELS; BORON; CHARGE EXCHANGE; CONFIGURATION INTERACTION; ELECTRON CORRELATION; ELECTRON DENSITY; ELECTRON EXCHANGE; ELECTRON GAS; ELECTRON-ELECTRON INTERACTIONS; ELECTRONIC STRUCTURE; ELECTRONS; ENERGY LEVELS; ENERGY-LEVEL TRANSITIONS; GROUND STATES; HARTREE-FOCK METHOD; IONIZATION POTENTIAL; KINETIC ENERGY; NEON; SINGLE-PARTICLE MODEL; SPIN
- Descriptors DEC
- ANGULAR MOMENTUM; CORRELATIONS; ELECTRON TRANSFER; ELEMENTARY PARTICLES; ELEMENTS; ENERGY; FERMIONS; INTERACTIONS; LEPTON-LEPTON INTERACTIONS; LEPTONS; MATHEMATICAL MODELS; NONMETALS; PARTICLE INTERACTIONS; PARTICLE PROPERTIES; RARE GASES; SEMIMETALS