On the development of many-body theories for intramolecular dynamics

Abstract

The efficacy of using time-dependent generalizations of the closed shell coupled cluster method for intramolecular processes associated with non-degenerate vacuum in the context of molecular absorption spectra is examined. Since the separability requirements are built into such an ansatz for the time evolution operator, it is possible to develop approximations which can take into account any number of modes, with much less computational effort than in a calculation by basis set expansion.