The time-dependent variation perturbation theory TDVPT was applied to estimate separately the effect of radial and angular correlations in the doubly excited states of two-electron systems. Test calculations were performed for the transitions 2 1 e 2 1 e y 2 1 e 2 1 e Ε½ . q 2q 1 s : S Βͺ 2 s : S fo
β¦ LIBER β¦
Doubly excited states of highly stripped ions: a time dependent perturbation approach
β Scribed by Mukherjee, P. K.
- Book ID
- 113044386
- Publisher
- Springer
- Year
- 1997
- Tongue
- English
- Weight
- 183 KB
- Volume
- 39
- Category
- Article
- ISSN
- 1434-6060
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## Abstract The geometric structures and infrared (IR) spectra in the electronically excited state of a novel doubly hydrogenβbonded complex formed by fluorenone and alcohols, which has been observed by IR spectra in experimental study, are investigated by the timeβdependent density functional theo