Coupled cluster response functions
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.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- September 1990
- DOI:
- 10.1063/1.458814
- Bibcode:
- 1990JChPh..93.3333K