The vibrational structure in electron detachment spectra is calculated using a formalism recently developed. In this formalism only data from the molecule are used; no data of the ion are required. The vibrational structure in the photoelectron (PE) spectrum of Hz0 is well reproduced using only the
✦ LIBER ✦
The virial theorem as an entail for Koopmans' theorem in atomic calculations
✍ Scribed by Rogério Custodio
- Publisher
- Springer
- Year
- 1985
- Tongue
- English
- Weight
- 325 KB
- Volume
- 67
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
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Hypervirial and Hellmann-Feynman theorems are used to obtain the perturbation energy expansion for the N-dimensional hydrogen atom in an external potential Ar", where a is a positive integer. Coefficients of the energy expansion in A are obtained up to very high order, without explicit knowledge of