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Moller-Plesset Perturbation Theory MPPT

This Foek operator is used to define the unperturbed Hamiltonian of Moller-Plesset perturbation theory (MPPT) ... [Pg.579]

Another way that additional configurations can be added to the the ground-state wave function is by the use of Moller-Plesset perturbation theory (MPPT). As it happens, a Hamiltonian operator constructed from a sum of Fock operators has as its set of solutions the HF single determinantal wave function and all other determinantal wave... [Pg.30]

Moller-Plesset perturbation theory (MPPT) aims to recover the correlation error incurred in Ilartree- Fock theory for the ground state whose zero-order description is ,. The Moller-Plesset zero-order Hamiltonian is the sum of Fock operators, and the zero-order wave functions are determinantal wave functions constructed from HF MOs. Thus the zero-order energies are simply the appropriate sums of MO energies. The perturbation is defined as the difference between the sum of Fock operators and the exact Hamiltonian ... [Pg.244]

In this chapter, we consider a form of perturbation theory which is associated with the names of Rayleigh and hrddinger (RSPT). Since we are interested in obtaining a perturbation expansion for the correlation energy, we choose the Hartree-Fock Hamiltonian as our zeroth-order Hamiltonian. RSPT with this choice of was applied to N-electron systems in the early days of quantum mechanics by C. Moller and M. S. Plesset and hence is sometimes called Moller-Plesset perturbation theory (MPPT). [Pg.320]

MPPT, see Moller-Plesset perturbation theory MTPA, 14... [Pg.337]


See other pages where Moller-Plesset Perturbation Theory MPPT is mentioned: [Pg.340]    [Pg.136]    [Pg.501]    [Pg.340]    [Pg.136]    [Pg.501]    [Pg.337]    [Pg.179]    [Pg.238]   
See also in sourсe #XX -- [ Pg.77 , Pg.136 ]




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