Using the concept of intermediate Hamiltonians, a state-specific dressing of an arbitrary configuration interaction matrix is presented in its full generality, proceeding through a coupled-cluster development of the desired eigenvector from its dominant single determinantal components. The method is then generalized to simultaneously search for M eigenstates through a Jeziorski-Monkhorst-type expansion from the M dominant determinants.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry