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Theoretical and Computational Chemistry

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Pair Natural Orbitals

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2 results in Keywords: Pair Natural Orbitals

Theoretical and Computational Chemistry

Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals

Kazuma Uemura, Masaaki Saitow, Takaki Ishimaru, Takeshi Yanai

Version 1 posted 25 January 2023

246

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Theoretical and Computational Chemistry

Sparsity of the Electron Repulsion Integral Tensor Using Different Localized Virtual Orbital Representations in Local Second Order Møller-Plesset Theory

Zhenling Wang, Abdulrahman Aldossary, Martin Head-Gordon

Version 1 posted 28 November 2022

290

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