Coupled cluster response functions
- 1 September 1990
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 93 (5) , 3333-3344
- https://doi.org/10.1063/1.458814
Abstract
The linear and quadratic response functions have been determined for a coupled cluster reference state. From the response functions, computationally tractable expressions have been derived for excitation energies, first‐ and second‐order matrix transition elements, transition matrix elements between excited states, and second‐ and third‐order frequency‐dependent molecular properties.Keywords
This publication has 20 references indexed in Scilit:
- Coupled cluster energy derivatives. Analytic Hessian for the closed-shell coupled cluster singles and doubles wave function: Theory and applicationsThe Journal of Chemical Physics, 1990
- The equation-of-motion coupled-cluster method: Excitation energies of Be and COChemical Physics Letters, 1989
- Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistryThe Journal of Physical Chemistry, 1989
- Extended coupled-cluster method. II. Excited states and generalized random-phase approximationPhysical Review A, 1987
- Extended coupled-cluster method. I. Generalized coherent bosonization as a mapping of quantum theory into classical Hamiltonian mechanicsPhysical Review A, 1987
- MBPT and coupled cluster calculation on the neon atom with numerical orbitalsInternational Journal of Quantum Chemistry, 1987
- Some aspects of the time-dependent coupled-cluster approach to dynamic response functionsPhysical Review A, 1983
- Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the BMoleculePhysical Review A, 1972
- Correlation problems in atomic and molecular systems III. Rederivation of the coupled‐pair many‐electron theory using the traditional quantum chemical methodstInternational Journal of Quantum Chemistry, 1971
- Bound states of a many-particle systemNuclear Physics, 1958