Density functional LCAO calculations for solids: Comparison among Hartree–Fock, DFT local density approximation, and DFT generalized gradient approximation structural properties
- 15 November 1995
- journal article
- theoretical and-computational-development
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 56 (4), 337-344
- https://doi.org/10.1002/qua.560560419
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- Ab initiostudy of the structural properties of LiF, NaF, KF, LiCl, NaCl, and KClPhysical Review B, 1995
- The performance of a family of density functional methodsThe Journal of Chemical Physics, 1993
- On the removal of the exchange singularity in extended systemsInternational Journal of Quantum Chemistry, 1993
- Precise density-functional method for periodic structuresPhysical Review B, 1991
- Approximate density functional theory as a practical tool in molecular energetics and dynamicsChemical Reviews, 1991
- Evaluation of four-center integrals with the linear muffin-tin orbital tight-binding methodPhysical Review B, 1986
- Self-interaction correction to density-functional approximations for many-electron systemsPhysical Review B, 1981
- Ground State of the Electron Gas by a Stochastic MethodPhysical Review Letters, 1980
- Linear methods in band theoryPhysical Review B, 1975
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965