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Hartree-Fock self-consistent field Coulomb operator

The Hartree-Fock equations form a set of pseudo-eigenvalue equations, as the Fock operator depends on all the occupied MOs (via the Coulomb and Exchange operators, eqs. (3.36) and (3.33)). A specific Fock orbital can only be determined if all the other occupied orbitals are known, and iterative methods must therefore be employed for determining the orbitals. A set of functions which is a solution to eq. (3.41) are called Self-Consistent Field (SCF) orbitals. [Pg.63]


See other pages where Hartree-Fock self-consistent field Coulomb operator is mentioned: [Pg.340]    [Pg.69]    [Pg.82]    [Pg.54]    [Pg.310]    [Pg.23]   
See also in sourсe #XX -- [ Pg.237 ]




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Coulomb operator

Field coulomb

Fock operator

Hartree field

Hartree self-consistent-field

Hartree-Fock operator

Operators self-consistency

Self-Consistent Field

Self-consisting fields

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