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/content/aip/journal/jcp/144/4/10.1063/1.4940895
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21.See supplementary material at http://dx.doi.org/10.1063/1.4940895 for donor and acceptor spectra as well as difference densities.[Supplementary Material]
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/content/aip/journal/jcp/144/4/10.1063/1.4940895
2016-01-27
2016-09-29

Abstract

A simplified coupled-clusterLagrangian, which is linear in the Lagrangian multipliers, is proposed for the coupled-cluster treatment of a quantum mechanical system in a polarizable environment. In the simplified approach, the amplitude equations are decoupled from the Lagrangian multipliers and the energy obtained from the projected coupled-clusterequation corresponds to a stationary point of the Lagrangian.

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