Reduced density matrix functional theory from an ab initio seniority-zero wave function: Exact and approximate formulations along adiabatic connection paths - Archive ouverte HAL
Article Dans Une Revue Physical Review A Année : 2022

Reduced density matrix functional theory from an ab initio seniority-zero wave function: Exact and approximate formulations along adiabatic connection paths

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Physique Quantique [quant-ph]

Bruno Senjean  : Connectez-vous pour contacter le contributeur

https://hal.science/hal-03796346

Soumis le : mardi 4 octobre 2022-13:22:16

Dernière modification le : jeudi 7 novembre 2024-16:14:04

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hal-03796346 , version 1 (04-10-2022)

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Bruno Senjean, Saad Yalouz, Naoki Nakatani, Emmanuel Fromager. Reduced density matrix functional theory from an ab initio seniority-zero wave function: Exact and approximate formulations along adiabatic connection paths. Physical Review A, 2022, 106 (3), pp.032203. ⟨10.1103/PhysRevA.106.032203⟩. ⟨hal-03796346⟩

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