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Communication: A simplified coupled-cluster Lagrangian for polarizable embedding
13.K. Krause, M. Bauer, and W. Klopper, “Approaching phosphorescence lifetimes in solution: The two-component polarizable-embedding approximate coupled-cluster method” (unpublished).
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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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