𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The degree of localization of inner-shell excited states of N 2 , CO 2 and C 2 H 2 molecules from generalized multistructural calculations

✍ Scribed by Miranda, M P de; Bielschowsky, C E; Nascimento, M A C


Book ID
121255058
Publisher
Institute of Physics
Year
1995
Tongue
English
Weight
203 KB
Volume
28
Category
Article
ISSN
0953-4075

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio CI calculations on the ionized
✍ Geoffrey E. Quelch; Ian H. Hillier πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 394 KB

The ionized states of [CO~(~~-C~H,)~(CO)~] and [Co,($-C,H,),(NO),] are investigated by a CI method which allows for electron reorganization, positive hole localization, and includes part of the correlation energy. Qualitative bonding schemes and the photoelectron spectra are discussed in terms of th