DOI: 10.1063/1.458814 ISSN:
Coupled cluster response functions
Henrik Koch, Poul Jo/rgensen- Physical and Theoretical Chemistry
- General Physics and Astronomy
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.