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All electron GVB/CI potential curves for the X1Σ+g state of Cs2

✍ Scribed by Stephen P. Walch; Charles W. Bauschlicher Jr.; Per E.M. Siegbahn; Harry Partridge

Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
383 KB
Volume
92
Category
Article
ISSN
0009-2614

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✦ Synopsis

Alklcctron CVB/Cl potenrlsl curves haw been obtamcd for the X 1 r; SIPIC ol Cs2 usmg L large gsussix~ basis set. Cor- rclatlon oi the 5s. 5p ulcc~rons 1s found to Icad ro a sgntiicannt bond shonenmg eiicct. The calculxcd R, and Dc arc III WIsonablc agrccmcnt wh c~pciimcnt of the R, IS conccted ior the rehtwstir contracflon of ths Cs(6s) 54 0 009-2614~82/0000_0000/oo/s 02.75 0 1982 North-Holland Volume 92. number 1 CHEMICAL PHYSICS LETTERS

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