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Alternative derivation of perturbation expansions in the projection operator formalism (1986)

Timoneda, J. Juanós I

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 30 (1986), S. 421-431

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The perturbation-theoretic expansions obtained from Löwdin's projection operator formalism are derived in a new way, using Kato's formulation of perturbation theory. Kato's approach provides a convenient alternative to diagrammatic techniques for obtaining eigenvalues and eigenvectors. Different normalization criteria imposable on the wave function are easily visualized in terms of the operator that yields the perturbed state vector when it acts upon the unperturbed wave function.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560300308

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