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Bond length multiconfiguration self-consistent

The calculations are not all at exactly the same bond length R. The basis set is indicated after the slash in the method. R, L, C, and T are basis sets of Slater-type functions. The aug-cc-pVDZ and aug-cc-pVTZ basis sets [360] are composed of Gaussian functions. SCF stands for self-consistent-field MC, for multiconfiguration FO, for first-order Cl, for configuration interaction MR, for multireference MPn, for nth-order Mpller-Plesset perturbation theory and SDQ, for singles, doubles, and quadruples. [Pg.337]


See other pages where Bond length multiconfiguration self-consistent is mentioned: [Pg.31]    [Pg.78]    [Pg.203]    [Pg.78]    [Pg.31]    [Pg.134]    [Pg.120]    [Pg.1177]    [Pg.615]    [Pg.169]   


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