Gradient corrections to the Hartree-Fock-Slater exchange and their influence on bond energy calculations
- 1 January 1991
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 81 (1-2) , 65-78
- https://doi.org/10.1007/bf01113378
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- On the shape of spherically averaged Fermi-hole correlation functions in density functional theory. 1. Atomic systemsCanadian Journal of Chemistry, 1989
- Density-functional exchange-energy approximation with correct asymptotic behaviorPhysical Review A, 1988
- Analysis of the local-density approximation of density-functional theoryPhysical Review A, 1988
- Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximationPhysical Review B, 1986
- Density functional calculations of molecular bond energiesThe Journal of Chemical Physics, 1986
- Accurate Density Functional for the Energy: Real-Space Cutoff of the Gradient Expansion for the Exchange HolePhysical Review Letters, 1985
- Beyond the local-density approximation in calculations of ground-state electronic propertiesPhysical Review B, 1983
- Hartree–Fock exchange energy of an inhomogeneous electron gasInternational Journal of Quantum Chemistry, 1983
- Descriptions of exchange and correlation effects in inhomogeneous electron systemsPhysical Review B, 1979
- Contribution to the cohesive energy of simple metals: Spin-dependent effectPhysical Review B, 1974