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A new look on SCF theory

Abstract:

Hartree-Fock's theory for monoconfigurational systems is analysed. A definition of a set of coulombic operators allows us to construct a set of Euler equations which has a multiconfigurational structure. A coupling operator technique is described in order to deal with the solution of these equations. Some computational examples are given to prove the practical use of the formalism. As a consequence, the unique structure of Hartree-Fock's problem is evidenced. © 1976.

Año de publicación:

1975

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Química teórica

    Áreas temáticas:

    • Física moderna

    Contribuidores:

    Ramón Carbö-D̈orcaRamón Carbö-D̈orca
    Riera J.M.Riera J.M.
    Gallifa R.Gallifa R.