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Listar por autor "Sapunar, Marin"

RiuNet: Repositorio Institucional de la Universidad Politécnica de Valencia

Listar por autor "Sapunar, Marin"

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    Efficient update of determinants of rmany-electron wave function overlaps 
    Alonso-Jordá, Pedro; Davidovic, Davor; Sapunar, Marin; Herrero, Jose R.; Quintana-Ortí, Enrique S. (Elsevier, 2021-01)
    [EN] The calculation of overlaps between many-electron wave functions at different nuclear geometries during nonadiabatic dynamics simulations requires the evaluation of a large number of determinants of matrices that ...