Generalized Hellmann-Feynman theorems and hypervirial theorems for X α-like methods
- 15 April 1974
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 60 (8), 3328-3329
- https://doi.org/10.1063/1.1681525
Abstract
Simple derivations are given of the theorems mentioned in the title. Also, conditions are given under which variational approximations to X α‐like methods will satisfy analogous theorems.Keywords
This publication has 6 references indexed in Scilit:
- Atomic polarizabilities and shielding factors with a local linear response methodJournal of Physics B: Atomic and Molecular Physics, 1973
- Gauge invariance, current conservation, and GIAO'sThe Journal of Chemical Physics, 1973
- Hellmann-Feynman and Virial Theorems in the X α MethodThe Journal of Chemical Physics, 1972
- Dipole Shielding TensorThe Journal of Chemical Physics, 1969
- Hypervirial Theorems for Variational Wave FunctionsPhysical Review B, 1961
- The electrostatic calculation of molecular energies - II. Approximate wave functions and the electrostatic methodProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1954