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Quadratic configuration interaction single-level method

There is also a hierarchy of electron correlation procedures. The Hartree-Fock (HF) approximation neglects correlation of electrons with antiparallel spins. Increasing levels of accuracy of electron correlation treatment are achieved by Mpller-Plesset perturbation theory truncated at the second (MP2), third (MP3), or fourth (MP4) order. Further inclusion of electron correlation is achieved by methods such as quadratic configuration interaction with single, double, and (perturbatively calculated) triple excitations [QCISD(T)], and by the analogous coupled cluster theory [CCSD(T)] [8],... [Pg.162]

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See also in sourсe #XX -- [ Pg.160 ]

See also in sourсe #XX -- [ Pg.160 ]



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Configuration Interaction

Configuration Interaction method

Configuration interaction - singles

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Configuration level

Configurational interaction

Configurational interaction method

Configurational interaction singles

Interaction Methods

Level method

Quadratic

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