Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 method
- 1 June 2010
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 493 (4-6) , 381-385
Abstract
No abstract availableKeywords
Funding Information
- National Institute of Health (GM081928)
This publication has 28 references indexed in Scilit:
- Density-Functional Theory for Strongly Interacting ElectronsPhysical Review Letters, 2009
- Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfactionPhysical Review A, 2008
- Insights into Current Limitations of Density Functional TheoryScience, 2008
- Analytical representation of the Becke–Roussel exchange functionalChemical Physics Letters, 2008
- Improved meta-GGA Correlation Functional of the Lap FamilyJournal of Chemical Theory and Computation, 2007
- Advances in methods and algorithms in a modern quantum chemistry program packagePhysical Chemistry Chemical Physics, 2006
- Efficient localized Hartree–Fock methods as effective exact-exchange Kohn–Sham methods for moleculesThe Journal of Chemical Physics, 2001
- A theoretical determination of the dissociation energy of the nitric oxide dimerTheoretical Chemistry Accounts, 1994
- Thermochemical tests of a kinetic-energy dependent exchange-correlation approximationInternational Journal of Quantum Chemistry, 1994
- Product energy correlations in the dissociation of overtone excited nitric oxide dimerThe Journal of Physical Chemistry, 1991