Time dependent multi-reference coupled cluster based response approach for evaluating dynamic properties

TitleTime dependent multi-reference coupled cluster based response approach for evaluating dynamic properties
Publication TypeJournal Article
Year of Publication1997
AuthorsDevarajan A, Pal S
Journal TitlePhysical Review A
Volume56
Issue4
Abstract

A time-dependent response approach using a multireference coupled cluster wave function is presented for the calculation of frequency-dependent nonlinear properties for systems that have significant “nondynamical” electron correlation. The formulation is nonvariational in nature and is similar to Monkhorst’s linear response approach, but has to incorporate the time-dependent change of the cluster amplitudes and the model space coefficients. The static limit of the equation in the Fock space approach is shown to reduce to the time-independent formulation in the Fock space approach developed by one of us.

URLhttp://pra.aps.org/abstract/PRA/v56/i4/p2658_1