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Rayleigh-Schrodinger theory

The SAPT method was mainly developed by workers in the Warsaw quantum chemistry group. Jeziorski and his former supervisor Kolos [47,138], believing in the prospects of SAPT, continued and extended the work of Refs. [37,40-46,48] later Szalewicz [139] joined forces in this development. These workers came to the conclusion that symmetrized Rayleigh-Schrodinger theory (weak symmetry forcing—see above) was the most viable of the different variants of SAPT. [Pg.1060]

The first-order wavefunction in p-MCPT as obtained by bi-orthogonal Rayleigh-Schrodinger theory looks... [Pg.261]

It is impossible to derive formulae for n and A of (2) which are entirely analogous to the formulae of the Rayleigh-Schrodinger theory, except that in all scalar products N occurs before the comma, instead of n. This will not be done here as we can restrict ourselves to the first approximation. We find that... [Pg.542]

The Hylleraas functional is easily related to the variational Lagrangian (14.1.53) of Rayleigh-Schrodinger theory. We recall that the RSPT Lagrangian C ) is symmetric with respect... [Pg.212]

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]

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]

Wigner, E. P., Phys. Rev. 94, 77, "Application of the Rayleigh-Schrodinger perturbation theory to the hydrogen atom." The whole electrostatic potential is considered as a perturbation. [Pg.340]

The Rayleigh-Schrodinger Perturbation Theory (see [2]) leads then to the following system of linear equations for the determination of cj (j=l,. ..M) ... [Pg.41]

The mathematical procedure that we present here for solving equation (9.15) is known as Rayleigh-Schrodinger perturbation theory. There are other procedures, but they are seldom used. In the Rayleigh-Schrodinger method, the eigenfunctions tpn and the eigenvalues E are expanded as power series in A... [Pg.240]

E. Schrodinger, Ann. Phys. 80 (1926), 437. The quantal formalism substantially follows the classical method developed by Lord Rayleigh (Theory of Sound [1894]) and is commonly referred to as Rayleigh-Schrodinger perturbation theory. ... [Pg.42]

Note that the choice of non-orthogonal versus orthogonal basis functions has no consequence for the numerical variational solutions (cf. Coulson s treatment of He2, note 76), but it undermines the possibility of physical interpretation in perturbative terms. While a proper Rayleigh-Schrodinger perturbative treatment of the He- He interaction can be envisioned, it would not simply truncate at second order as assumed in the PMO analysis of Fig. 3.58. Note also that alternative perturbation-theory formulations that make no reference to an... [Pg.357]

From this starting point, London employed standard techniques of Rayleigh-Schrodinger perturbation theory to evaluate the leading effects of the intermolecular... [Pg.587]

A Rayleigh-Schrodinger-type perturbation theory has recently been developed by Angyan [107], The consideration of external perturbations, like electric fields, permits the calculation of response functions for solvated species. [Pg.298]

Angyan, J. G. Rayleigh-Schrodinger perturbation theory of non-linear Schrodinger equations with linear perturbation, IntJ.Quantum Chem., 47 (1993), 469-483... [Pg.352]

The adiabatic corrections to the ground state of H2, HD, and Di we shall calculate using second-order Rayleigh-Schrodinger many-body perturbation theory (RS-... [Pg.396]


See other pages where Rayleigh-Schrodinger theory is mentioned: [Pg.281]    [Pg.283]    [Pg.542]    [Pg.75]    [Pg.93]    [Pg.266]    [Pg.18]    [Pg.19]    [Pg.19]    [Pg.19]    [Pg.21]    [Pg.58]    [Pg.251]    [Pg.251]    [Pg.207]    [Pg.214]    [Pg.286]    [Pg.281]    [Pg.283]    [Pg.542]    [Pg.75]    [Pg.93]    [Pg.266]    [Pg.18]    [Pg.19]    [Pg.19]    [Pg.19]    [Pg.21]    [Pg.58]    [Pg.251]    [Pg.251]    [Pg.207]    [Pg.214]    [Pg.286]    [Pg.2177]    [Pg.40]    [Pg.106]    [Pg.243]    [Pg.88]    [Pg.88]    [Pg.76]    [Pg.360]   
See also in sourсe #XX -- [ Pg.47 , Pg.49 ]




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Brillouin-Wigner perturbation theory Rayleigh-Schrodinger

Comparison of Brillouin-Wigner and Rayleigh-Schrodinger perturbation theories

Elements of Rayleigh-Schrodinger (RS) Perturbation Theory

Many-body perturbation theory Rayleigh-Schrodinger

Multi-reference Rayleigh-Schrodinger perturbation theory

Perturbation theory symmetrized Rayleigh-Schrodinger

Perturbation theory, Rayleigh-Schrodinge

Rayleigh theory

Rayleigh-Schrodinger

Rayleigh-Schrodinger Perturbation Theory through Second Order

Rayleigh-Schrodinger perturbation response theory

Rayleigh-Schrodinger perturbation theory

Rayleigh-Schrodinger perturbation theory RSPT)

Rayleigh-Schrodinger perturbation theory approximation

Rayleigh-Schrodinger perturbation theory description

Rayleigh-Schrodinger perturbation theory first-order corrections

Rayleigh-Schrodinger perturbation theory formal development

Rayleigh-Schrodinger perturbation theory intruder state problem

Rayleigh-Schrodinger perturbation theory method

Rayleigh-Schrodinger perturbation theory size-extensivity

Rayleigh-Schrodinger perturbation theory third-order energy

Rayleigh-Schrodinger perturbation theory time independent

Rayleigh-Schrodinger perturbation theory, Size consistency

Rayleigh-Schrodinger perturbation theory, first order wave function

Rayleigh-Schrodinger perturbation theory, second order energy

Schrodinger theory

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