Exchange-correlation potentials in the adiabatic connection fluctuation-dissipation framework
Creators
- 1. Unite PCPM, Universite Catholique de Louvain, 1348 Louvain-la-Neuve, (Belgium)
Description
We provide the expression of the exchange-correlation potential in the adiabatic connection fluctuation-dissipation (ACFD) framework, for arbitrary time-dependent (TD) kernels. We investigate the asymptotic behavior of the ACFD potential in three relevant approximations: the random-phase approximation, the exact-exchange kernel in two-electron systems, and the adiabatic local-density approximation. We show that these potentials have the expected -1/r+Q/r3-α/(2r4) tail (in closed-shell systems with spherical symmetry), where Q and α depend on the TD kernel and reflect the physics included in each approximation. We also discuss approximate ACFD potentials that are much simpler to compute than the exact ones while being likely of reasonable accuracy
Additional details
Identifiers
Publishing Information
- Journal Title
- Physical Review. A
- Journal Volume
- 68
- Journal Issue
- 3
- Journal Page Range
- p. 032507-032507.13
- ISSN
- 1050-2947
- CODEN
- PLRAAN
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36082120
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ACCURACY; CORRELATIONS; DENSITY; DENSITY FUNCTIONAL METHOD; ELECTRON GAS; ELECTRONS; FLUCTUATIONS; KERNELS; POTENTIALS; RANDOM PHASE APPROXIMATION; SPHERICAL CONFIGURATION; SYMMETRY; TIME DEPENDENCE
- Descriptors DEC
- CALCULATION METHODS; CONFIGURATION; ELEMENTARY PARTICLES; FERMIONS; LEPTONS; PHYSICAL PROPERTIES; VARIATIONAL METHODS; VARIATIONS
Optional Information
- Notes
- (c) 2003 The American Physical Society