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Classical MC SCF approach

We will describe first the classical MC SCF approach. This is a variational method. As was mentioned, the wave function in this method has the form of a finite linear combination of Slater determinants [Pg.535]

take a finite Cl rapansion (the Slater determinants and the orbitals foi their construction are fixed) [Pg.536]

calculate the coefficients for the determinants by the Ritz method (the orbitals do not change) [Pg.536]

vary the LCAO coefficients in the orbitals at the fixed Cl coeffidents to obtain the best MOs [Pg.536]

return to point 1 until self-consistenty is achieved [Pg.536]

See other pages where Classical MC SCF approach is mentioned: [Pg.579]    [Pg.625]    [Pg.500]    [Pg.535]    [Pg.579]    [Pg.625]    [Pg.579]    [Pg.625]    [Pg.500]    [Pg.535]    [Pg.579]    [Pg.625]    [Pg.581]    [Pg.336]   


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