Efficient Energy and Electrostatic Properties Calculations at the MP2 Theory Level: A Case Study of Density Matrix-Based Computational Quantum Chemistry

Grzegorz Mazur, Marcin Makowski, Jakub Sumera, Krzysztof Kowalczyk. Efficient Energy and Electrostatic Properties Calculations at the MP2 Theory Level: A Case Study of Density Matrix-Based Computational Quantum Chemistry. Computers and Artificial Intelligence, 31(3):665, 2012. [doi]

Abstract

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