Some aspects of the time-dependent coupled-cluster approach to dynamic response functions

Esper Dalgaard and Hendrik J. Monkhorst
Phys. Rev. A 28, 1217 – Published 1 September 1983
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Abstract

An approximation scheme for dynamic response functions within the coupled cluster or exp(T) method of Coester and Kümmel is described in this paper. Particular attention is given to the relationship between the "vacuum amplitude" 0|U(t,)|0 for the time development of an exact eigenstate of a many-electron Hamiltonian in the presence of an adiabatically switched-on perturbaction, and the amplitude Φ0|U(t,)|0 for the time evolution into an independent-particle reference state |Φ0, which is not orthogonal to |0. The latter amplitude plays a prominent role in the time-dependent coupled-cluster calculation of response functions.

  • Received 25 February 1983

DOI:https://doi.org/10.1103/PhysRevA.28.1217

©1983 American Physical Society

Authors & Affiliations

Esper Dalgaard

  • Department of Chemistry, University of Aarhus, DK-8000 Aarhus C, Denmark

Hendrik J. Monkhorst

  • Quantum Theory Project, University of Florida, Gainesville, Florida 32611

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Vol. 28, Iss. 3 — September 1983

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