A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction

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https://hal.univ-lorraine.fr/hal-02196455
Contributor : Alessandro Genoni <>
Submitted on : Sunday, July 28, 2019 - 6:36:36 PM
Last modification on : Wednesday, August 7, 2019 - 2:32:05 PM

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Alessandro Genoni, Kenneth Merz, Maurizio Sironi. A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction. Journal of Chemical Physics, American Institute of Physics, 2008, 129 (5), pp.054101. ⟨10.1063/1.2961015⟩. ⟨hal-02196455⟩

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