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Pauli principle conical intersections

In Chapter VIII, Haas and Zilberg propose to follow the phase of the total electronic wave function as a function of the nuclear coordinates with the aim of locating conical intersections. For this purpose, they present the theoretical basis for this approach and apply it for conical intersections connecting the two lowest singlet states (Si and So). The analysis starts with the Pauli principle and is assisted by the permutational symmetry of the electronic wave function. In particular, this approach allows the selection of two coordinates along which the conical intersections are to be found. [Pg.770]


See other pages where Pauli principle conical intersections is mentioned: [Pg.341]    [Pg.390]    [Pg.447]    [Pg.496]    [Pg.447]    [Pg.496]   


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