Applications of coordinate-scaling procedures to the exchange-correlation energy
- 1 February 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 47 (2) , 918-922
- https://doi.org/10.1103/physreva.47.918
Abstract
Coordinate scaling within the coupling-constant integration formula is used to determine simple approximations to the exchange-correlation energy functional E(xc)[rho]. Correlation contributions to the kinetic energy, T(c), are also determined by coordinate scaling. Calculations show that the approximations generated for E(xc)[rho] give surprisingly good results for the species tested, considering the simplicity of the functionals, considering the fact that their forms are unorthodox, and considering the fact that they satisfy only a small fraction of the conditions known to be satisfied by the exact E(xc)[rho]. The approximate functionals for T(c) give reasonable values.This publication has 16 references indexed in Scilit:
- Density-functional exchange correlation through coordinate scaling in adiabatic connection and correlation holePhysical Review A, 1991
- Nonlocal Wigner-like correlation-energy density functional through coordinate scalingPhysical Review B, 1990
- Density Functional TheoryPublished by Springer Nature ,1990
- Correlation energy of an inhomogeneous electron gas: A coordinate-space modelThe Journal of Chemical Physics, 1988
- Hellmann-Feynman, virial, and scaling requisites for the exact universal density functionals. Shape of the correlation potential and diamagnetic susceptibility for atomsPhysical Review A, 1985
- A new functional with homogeneous coordinate scaling in density functional theory: F [ ρ,λ]The Journal of Chemical Physics, 1985
- Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v -representability problemProceedings of the National Academy of Sciences, 1979
- Exchange-correlation energy of a metallic surface: Wave-vector analysisPhysical Review B, 1977
- Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalismPhysical Review B, 1976
- The exchange-correlation energy of a metallic surfaceSolid State Communications, 1975