Correlated ab Initio Electronic Structure Calculations for Large Molecules
- 16 March 1999
- journal article
- review article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (13), 1913-1928
- https://doi.org/10.1021/jp9825157
Abstract
No abstract availableKeywords
This publication has 46 references indexed in Scilit:
- Optimized density functionals from the extended G2 test setThe Journal of Chemical Physics, 1998
- Density functional results for isotropic and anisotropic multipole polarizabilities and C6, C7, and C8 Van der Waals dispersion coefficients for moleculesThe Journal of Chemical Physics, 1997
- Local treatment of electron correlation in coupled cluster theoryThe Journal of Chemical Physics, 1996
- Structure and Stability of Molecular Carbon: Importance of Electron CorrelationPhysical Review Letters, 1995
- The performance of a family of density functional methodsThe Journal of Chemical Physics, 1993
- Numerical solution of Poisson’s equation in polyatomic moleculesThe Journal of Chemical Physics, 1988
- Development of the Colle-Salvetti correlation-energy formula into a functional of the electron densityPhysical Review B, 1988
- Ground State of the Electron Gas by a Stochastic MethodPhysical Review Letters, 1980
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964