Is second-order perturbation theory sufficient to treat second-order properties?
✍ Scribed by E. Brändas; O. Goscinski
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 338 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Assuming the Born-Oppenheimer approximation for molecular wavefunctions satisfies the Hellmann-Feynman theorem, Rayleigh-Schriidinger perturbation theory is employed to develop an analytic formula for derivatives of expectation values and second-order properties with respect to nuclear coordinates.
This paper presents the closed form evaluation of a six-dimensional integral. The integral arises in the application to many-elec-same features as the one in Eq. ( 1) and the techniques tron systems of a multiple scattering perturbation expansion at presented here could be applied to the general hig