Elsevier

Chemical Physics Letters

Volume 212, Issues 1–2, 3 September 1993, Pages 177-184
Chemical Physics Letters

Multiple solutions of the single-reference coupled-cluster method

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Abstract

The nonlinear coupled-cluster (CC) equations possess several solutions. They describe various excited states as long as they contain a contribution from the reference function. We study the additional solutions of the single-reference CC equations and demonstrate that unlike the ground state, the approximate solution for excited states in general does not satisfy the cluster condition nor the standard proof of extensivity. For such states that makes the CC approximation poorer than that for the analogous CI.

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