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Second-order M011er-Plesset Theory

The next level of sophistication is to include inter- as well as intracorrelation effects using, as advocated by Pople , M011er-Plesset perturbation theory , a true supermolecular method subject to BSSE (cf Section V). We restrict our discussion here to the frequently applied second-order variant (MP2). [Pg.532]

The dispersion energy (inter-monomer correlation) in the MP2 appraoch is obtained at the uncoupled Hartree-Fock level as discussed above. At longe range the result is identical to that of the polarization approach using the M011er-Plesset partitioning. No coupling between correlation effects is [Pg.532]

The intra-monomer correlation affects the (intermolecular) interaction energy through matrix elements of the form ° [Pg.533]


See other pages where Second-order M011er-Plesset Theory is mentioned: [Pg.275]    [Pg.257]    [Pg.275]    [Pg.257]    [Pg.367]    [Pg.68]    [Pg.2]    [Pg.274]    [Pg.930]   


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Second-order theory

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