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机译:
Institut de Química Teòrica i Computacional, Departament de Química Física, Universitat de Barcelona, Martí i Franquès, 1-11, 08028 Barcelona, Spain;
机译:Second-order perturbative corrections to the restricted active space configuration interaction with the hole and particle approach
机译:A unitary group formulation of the complete active space configuration interaction method. II. An approach based on the subgroup chainU(n=n0+n1+n2) =U(n0)times;U(n1+in2) =U(n0)times;U(n1)times;U(n2)
机译:Orbital optimization in nonorthogonal multiconfigurational self-consistent field applied to the study of conical intersections and avoided crossings