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quasi-degenerate perturbation theory

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Theoretical and Computational Chemistry

Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals

Manami Hayashi, Masaaki Saitow, Kazuma Uemura, Takeshi Yanai

Version 1 posted 22 February 2024

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