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Ab initio study of the ground and excited states of the zinc sulfide diatomic system, ZnS

✍ Scribed by Aristotle Papakondylis


Book ID
113554965
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
455 KB
Volume
512
Category
Article
ISSN
0009-2614

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Ab initio study of the ground and severa
✍ Spyridoula Matsika; Aristotle Papakondylis; Aristides Mavridis πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 407 KB

Using mainly CASSCF/cc-pVTZ ab initio methods we have computed the ground X 33(-and several excited states of the NLi species. In particular, we calculated full potential energy curves of the X 3`y-, 5~ (dissociative), A3I], a IA, b ~E +, B 3E , c n H, C 3H and d 1H states. For six of these states t