Efficient energy and electrostatic properties calculations at the MP2 theory level: a case study of density matrix-based computational quantum chemistry

zbMATH Open1399.81012MaRDI QIDQ4610047FDOQ4610047

Authors: Grzegorz Mazur, Marcin Makowski, Jakub Sumera, Krzysztof Kowalczyk 

Publication date: 5 April 2018

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zbMATH Keywords

Laplace transformlinear scalingcomputational chemistryMP2

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)

Cited In (3)

• Ab initio quantum chemistry: Methodology and applications
• The pseudo-\(\pi\) method examined for the computation of multicenter aromaticity indices
• Variational approach to electronic structure calculations on second-order reduced density matrices and the \(N\)-representability problem

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