Analytic evaluation of energy gradients for the single, double and linearized triple excitation coupled-cluster CCSDT-1 wavefunction: Theory and applications
- 29 April 1988
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 146 (1-2) , 23-31
- https://doi.org/10.1016/0009-2614(88)85042-5
Abstract
No abstract availableThis publication has 46 references indexed in Scilit:
- Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and applicationThe Journal of Chemical Physics, 1987
- The closed-shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) resultsThe Journal of Chemical Physics, 1987
- Comparison of MBPT and coupled cluster methods with full CI. II. Polarized basis setsThe Journal of Chemical Physics, 1987
- Use of a size-consistent energy functional in many electron theory for closed shellsTheoretical Chemistry Accounts, 1983
- Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in MoleculesAnnual Review of Physical Chemistry, 1981
- Unlinked cluster effects in molecular electronic structure. I. The HCN and HNC moleculesThe Journal of Chemical Physics, 1978
- Many-fermion theory in expS- (or coupled cluster) formPhysics Reports, 1978
- On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical MethodsThe Journal of Chemical Physics, 1966
- Many-Electron Theory of Atoms and Molecules. IIThe Journal of Chemical Physics, 1962
- Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron CorrelationsThe Journal of Chemical Physics, 1962