On the Hellmann-Feynman theorem and the corrections to the energy in the Rayleigh-Schrodinger perturbation theory

Citation
R. Almeida et al., On the Hellmann-Feynman theorem and the corrections to the energy in the Rayleigh-Schrodinger perturbation theory, J MATH CHEM, 28(1-3), 2000, pp. 201-206
Citations number
16
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF MATHEMATICAL CHEMISTRY
ISSN journal
02599791 → ACNP
Volume
28
Issue
1-3
Year of publication
2000
Pages
201 - 206
Database
ISI
SICI code
0259-9791(2000)28:1-3<201:OTHTAT>2.0.ZU;2-3
Abstract
In this work we present an alternative method, based on the Hellmann-Feynma n theorem, to generate energy corrections within the standard Rayleigh-Schr odinger perturbation theory. As a result, compact expressions for the corre ctions to the energy at different orders are obtained. We also review a met hod that allows us to calculate the corrections to the wave function needed in the energy calculations. Finally, our results are compared with those o btained by other authors by a different technique.