Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models
- 1 September 1995
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 244 (1-2) , 75-82
- https://doi.org/10.1016/0009-2614(95)00914-p
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Economical triple excitation equation-of-motion coupled-cluster methods for excitation energiesChemical Physics Letters, 1995
- The inclusion of connected triple excitations in the equation-of-motion coupled-cluster methodThe Journal of Chemical Physics, 1994
- The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state propertiesThe Journal of Chemical Physics, 1993
- Second-order perturbation theory with a complete active space self-consistent field reference functionThe Journal of Chemical Physics, 1992
- Coupled cluster response functionsThe Journal of Chemical Physics, 1990
- Second-order perturbation theory with a CASSCF reference functionThe Journal of Physical Chemistry, 1990
- Accurate Quantum Chemical CalculationsAdvances in Chemical Physics, 1990
- Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenThe Journal of Chemical Physics, 1989
- On the spectrum of BH in the near ultravioletJournal of Molecular Spectroscopy, 1967
- The absorption spectrum of BH and BD in the vacuum ultravioletJournal of Molecular Spectroscopy, 1964