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

Ajitha, D. ; Pal, Sourav (1997) Time-dependent multireference coupled-cluster-based response approach for evaluating dynamic properties Physical Review A, 56 (4). pp. 2658-2664. ISSN 1050-2947

Full text not available from this repository.

Official URL: http://link.aps.org/doi/10.1103/PhysRevA.56.2658

Related URL: http://dx.doi.org/10.1103/PhysRevA.56.2658

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.

Item Type:Article
Source:Copyright of this article belongs to American Physical Society.
ID Code:25918
Deposited On:04 Dec 2010 11:01
Last Modified:05 Mar 2011 05:50

Repository Staff Only: item control page