title: Communication: A simplified coupled-cluster Lagrangian for polarizable embedding.
abstract: A simplified coupled-cluster Lagrangian, 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-cluster equation corresponds to a stationary point of the Lagrangian.
authors.affiliation: Karlsruhe Institute of Technology (KIT), Institute of Physical Chemistry, Theoretical Chemistry Group, KIT Campus South, P.O. Box 6980, 76049 Karlsruhe, Germany.
authors.forename: Katharina
authors.initials: K
authors.lastname: Krause
authors.affiliation: Karlsruhe Institute of Technology (KIT), Institute of Physical Chemistry, Theoretical Chemistry Group, KIT Campus South, P.O. Box 6980, 76049 Karlsruhe, Germany.
authors.forename: Wim
authors.initials: W
authors.lastname: Klopper