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Interaction of N2 with Kr: Potential energy surface and bound states

โœ Scribed by Zhongquan Wang; Mei Niu; Eryin Feng; Haijun Yu; Jianming Du; Jianguo Ma


Book ID
108109008
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
690 KB
Volume
484
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


Electronic states and potential energy s
โœ K. Balasubramanian ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 468 KB

Complete active space MC SCF (CAS SCF) followed by second-order configuration interaction (SOCI) calculations are carried out for the three lowest-lying states of ScH2. The potential energy surface of the 'A, state is investigated as a function of bending angle. A barrier ( < 36 kcal/mole) is found