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An application of second-ordern-electron valence state perturbation theory to the calculation of excited states

✍ Scribed by Celestino Angeli; Stefano Borini; Renzo Cimiraglia


Book ID
118296834
Publisher
Springer
Year
2003
Tongue
English
Weight
282 KB
Volume
111
Category
Article
ISSN
1432-2234

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From PPP-MO theory to all-valence electr
✍ Luis A. Montero; Liz Alfonso; J. Raul Alvarez; Eduardo Perez πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 863 KB

## Abstract PPP MO theory initiated in 1953 a reliable SCF approach to excited states in multielectronic systems. Further developments, such as Del Bene‐JaffΓ©'s CNDO/S method, modified Pople's CNDO all‐valence electron (AVE) approach to improve the results but maintained some basic troubles of this