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Multiconfigurational linear response wavefunction

In the MCSCF linear response theory [48], also called multiconfigurational RPA [54], the reference state is approximated hy a MCSCF wavefunction... [Pg.475]

Eq. (5.75) in Tables 13.4 to 13.6 as examples. The emphasis is here on the comparison of some of the methods introduced in Chapters 10 to 12 and in particular on the effect of electron correlation, meaning the difference in the results obtained with methods based on the Hartree-Fock wavefunction, like SCF linear response (section 11.2) or RPA (section 10.3) and CHF (section 11.1) on one side and with methods based on multiconfigurational (sections 10.4 and 11.2), Mpller-Plesset (sections 10.3 and 12.2) or coupled cluster wavefunctions (sections 10.3, 11.4 and 12.2) on the other side. Only results for small molecules are discussed here. [Pg.261]


See other pages where Multiconfigurational linear response wavefunction is mentioned: [Pg.187]    [Pg.138]    [Pg.213]    [Pg.186]    [Pg.82]   
See also in sourсe #XX -- [ Pg.383 ]




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