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Superexcited states of NH3, H2O and HF

✍ Scribed by Shigeaki Nishikawa; Tsutomu Watanabe

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
475 KB
Volume
8
Category
Article
ISSN
0301-0104

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πŸ“œ SIMILAR VOLUMES

Results of diagonal ARPA calculations fo
Results of diagonal ARPA calculations for LiH, HF, H2O and NH3
✍ V. Carravetta; R. Moccia πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science 🌐 English βš– 439 KB

The aupented random phase approximation [ARPA) in its wonzl form has heen employed to compute the liueer response fimction for the molecules LiH. HF. He0 and NJ&. The calculatious have been carried out iueludiuR: (a) particleparticle pIus hole-hole @p f hh) terms; (b) parti:Ie-hoie plus hole-partici

The dissociation of NH3 and H2O in excit
The dissociation of NH3 and H2O in excited states
✍ J.A. Horsely; F. Flouquet πŸ“‚ Article πŸ“… 1970 πŸ› Elsevier Science 🌐 English βš– 273 KB

For some lower-lying excited states of NH3 and H20, ab initio SCF calculations indicate the presence of potential maxima in the paths leading to dissociation into NH2 +H and OH +H. The occurrence of these maxima is probably connected with changes in the highest occupied molecular orbital during diss