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

D. Ajitha and Sourav Pal
Phys. Rev. A 56, 2658 – Published 1 October 1997
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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.

  • Received 31 March 1997

DOI:https://doi.org/10.1103/PhysRevA.56.2658

©1997 American Physical Society

Authors & Affiliations

D. Ajitha and Sourav Pal

  • Physical Chemistry Division, National Chemical Laboratory, Pune 411 008, India

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Vol. 56, Iss. 4 — October 1997

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