Abstract
A determinantal analysis based on the combined coupled-cluster (CC) or equation-of-motion-coupled cluster (EOM-CC) and Rayleigh-Schrodinger perturbation theory was used to develop a program capable of computing CC or EOM-CC energies at any perturbation order. The perturbative expansion of a similarity-transformed Hamiltonian was performed to the total energies of ground & excited states. The analysis clearly outdated the coupled-cluster single and double (CCSD) excitation theory.
Original language | English (US) |
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Pages (from-to) | 3919-3928 |
Number of pages | 10 |
Journal | Journal of Chemical Physics |
Volume | 114 |
Issue number | 9 |
DOIs | |
State | Published - Mar 1 2001 |
Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry