The power of exact conditions in electronic structure theory
Authors:
- Rodney J. BartlettRBRodney J. Bartlett
- Duminda S. RanasingheDRDuminda S. Ranasinghe
- 1 February 2017
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 669, 54-70
Abstract
No abstract availableKeywords
Funding Information
- U. S. Air Force Office of Scientific Research (FA9550-11-1-0065)
This publication has 100 references indexed in Scilit:
- Charge-transfer separability and size-extensivity in the equation-of-motion coupled cluster method: EOM-CCxThe Journal of Chemical Physics, 2011
- Many-electron self-interaction error in approximate density functionalsThe Journal of Chemical Physics, 2006
- Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formationThe Journal of Chemical Physics, 1997
- Core-electron binding energies for gaseous atoms and moleculesAtomic Data and Nuclear Data Tables, 1984
- Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the EnergyPhysical Review Letters, 1982
- A full coupled-cluster singles and doubles model: The inclusion of disconnected triplesThe Journal of Chemical Physics, 1982
- Self-interaction correction to density-functional approximations for many-electron systemsPhysical Review B, 1981
- Molecular Applications of Coupled Cluster and Many-Body Perturbation MethodsPhysica Scripta, 1980
- Extension of Koopmans’ theorem. I. DerivationThe Journal of Chemical Physics, 1975
- Approximate calculation of the correlation energy for the closed shellsTheoretical Chemistry Accounts, 1975