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Electron Correlation from the Adiabatic Connection for Multireference Wave Functions
Abstract
An adiabatic connection (AC) formula for the electron correlation energy is derived for a broad class of multireference wave functions. The AC expression recovers dynamic correlation energy and assures a balanced treatment of the correlation energy. Coupling the AC formalism with the extended random phase approximation allows one to find the correlation energy only from reference one- and two-electron reduced density matrices. If the generalized...
Paper Details
Title
Electron Correlation from the Adiabatic Connection for Multireference Wave Functions
Published Date
Jan 5, 2018
Journal
Volume
120
Issue
1
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