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Rayleigh-Schrodinger perturbation theory RSPT

An essential thing to stress concerning the above development of so-called Rayleigh-Schrodinger perturbation theory (RSPT) is that each of the energy corrections... [Pg.578]

It should be apparent that the expressions for the wave functions after interaction [equations (3.38) and (3.39)] are equivalent to the Rayleigh-Schrodinger perturbation theory (RSPT) result for the perturbed wave function correct to first order [equation (A.109)]. Similarly, the parallel between the MO energies [equations (3.33) and (3.34)] and the RSPT energy correct to second order [equation (A. 110)] is obvious. The missing first-order correction emphasizes the correspondence of the first-order corrected wave function and the second-order corrected energy. Note that equations (3.33), (3.34), (3.38), and (3.39) are valid under the same conditions required for the application of perturbation theory, namely that the perturbation be weak compared to energy differences. [Pg.45]

We can, however, employ Rayleigh-Schrodinger perturbation theory (RSPT) for the small-box problem, treating the electron-nucleus Coulomb... [Pg.204]

It will be useful to review certain features of Rayleigh-Schrodinger perturbation theory (RSPT) We start from a partitioning of the Hamiltonian into a zeroth-order part Ho and a first-order part Hi... [Pg.80]

IV. Many-Body Rayleigh-Schrodinger Perturbation Theory (MB-RSPT) A. Brief Description... [Pg.108]

In this section, we shall follow the main features of the derivation of the time-independent many-body Rayleigh-Schrodinger perturbation theory (mb-rspt) given by Paldus and Cfzek in their well-known review, published in 1975 [29]. [Pg.98]

MR-BWPT multi-reference Brillouin-Wigner perturbation theory MR-RSPT multi-reference Rayleigh-Schrodinger perturbation theory... [Pg.252]

Rayleigh-Schrodinger many-body perturbation theory — RSPT). In this approach, the total Hamiltonian of the system is divided or partitioned into two parts a zeroth-order part, Hq (which has... [Pg.236]


See other pages where Rayleigh-Schrodinger perturbation theory RSPT is mentioned: [Pg.76]    [Pg.172]    [Pg.12]    [Pg.292]    [Pg.82]    [Pg.23]    [Pg.40]    [Pg.187]    [Pg.43]    [Pg.60]    [Pg.133]    [Pg.153]    [Pg.1718]    [Pg.76]    [Pg.172]    [Pg.12]    [Pg.292]    [Pg.82]    [Pg.23]    [Pg.40]    [Pg.187]    [Pg.43]    [Pg.60]    [Pg.133]    [Pg.153]    [Pg.1718]    [Pg.168]    [Pg.108]    [Pg.131]    [Pg.100]    [Pg.57]    [Pg.179]    [Pg.94]    [Pg.268]    [Pg.40]    [Pg.467]    [Pg.68]    [Pg.1706]    [Pg.214]   
See also in sourсe #XX -- [ Pg.322 ]




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