Equations-of-motion methods

Rowe D J 1968 Equation-of-motion method and the extended shell model Rev. Mod. Phys. 40 153-66 I applied these ideas to excitation energies in atoms and molecules in 1971 see equation (2.1)-(2.6) in ... 

In the present paper, we give a detail, maybe even tutorial, description of SRPA, consider and discuss its most important particular cases and compare it with alternative approaches, including the equation-of-motion method in the coupled-cluster theory. We thus pursue the aim to advocate SRPA for researchers from other areas, e.g. from the quantum chemistry. 

Fink636 637 has computed PE surfaces for the lowest two singlet and triplet states with a smaller basis set in order to examine the dissociation process. Hayes and Morukuma carried out similar investigations of the process.638 Excitation energies have been computed by the equations-of-motion method for the vacuum-u.v. part of the spectrum.639... 

There are two ways to calculate dispersions one is the Holstein-Primakoff method, and the other is the equations of motion method. Usually, these two methods yield similar results. However, in the presence of spin-vortices, the latter method yields a new-type mode that is not obtained by the former method. In the following we employ the latter method [18,23]. 

D.J. Rowe, Equations-of-Motion Method and the Extended Shell Model, Rev. Mod. Phys. 40 (1968) 153. 

A completely different approach in trying to calculate the eigenvalues of the Liouvillian is rendered by the equation-of-motion method, which was developed in nuclear physics12 13 and later introduced into quantum chemistry by several research groups.19 The basic idea is to try to solve the eigenvalue problem (1.22) by expanding the approximate eigenele-ment D in terms of a truncated basis B = Br of order m in the operator space, so that... 

Equations of motion methods for computing electron affinities and ionization potentials... 

Chapter 17 - Equations of motion methods for computing electron affinities and ionization potentials. Pages 443-464, Jack Simons... 

These three questions have motivated a series of our studies of both the formal and computational aspects of the Green s function-equations of motion methods. 

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