Assessing the orbital-optimized unitary Ansatz for density cumulant theory

Misiewicz, JP; Turney, JM; Schaefer, HF; Sokolov, AY

Schaefer, HF (corresponding author), Univ Georgia, Ctr Computat Quantum Chem, Athens, GA 30602 USA.

JOURNAL OF CHEMICAL PHYSICS, 2020; 153 (24):

Abstract

The previously proposed Ansatz for density cumulant theory that combines orbital-optimization and a parameterization of the 2-electron reduced density......

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