Perturbation Theory and the Hellmann—Feynman Theorem
- 15 August 1963
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 39 (4) , 863-867
- https://doi.org/10.1063/1.1734383
Abstract
By using the Hellmann—Feynman theorem in conjunction with an operator formulation of perturbation theory it is shown that, while for a general Hamiltonian an energy derivative is determined only to order n by an nth‐order wavefunction (Salem and Wilson), for a restricted class of systems it is determined to order n+1, and by restricting the class somewhat further one can obtain energy derivatives to order 2n+1. The example of the force between two atoms interacting through dispersion type forces is briefly discussed.Keywords
This publication has 6 references indexed in Scilit:
- Reliability of the Hellmann—Feynman Theorem for Approximate Charge DensitiesThe Journal of Chemical Physics, 1962
- Perturbation Theory of Many-Electron Atoms and MoleculesPhysical Review B, 1961
- Theory of electron correlation in atoms and moleculesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1961
- Inter‐ and Intramolecular Forces and Molecular PolarizabilityAdvances in Chemical Physics, 1958
- Intermolecular Forces and Equation of State of GasesAdvances in Chemical Physics, 1957
- Forces in MoleculesPhysical Review B, 1939