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Electron Energy for H2+ in the Ground State

โœ Scribed by Wind, H.


Book ID
120466070
Publisher
American Institute of Physics
Year
1965
Tongue
English
Weight
482 KB
Volume
42
Category
Article
ISSN
0021-9606

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The H2O++ Ground State Potential Energy
โœ P.R. Bunker; Ota Bludsky; Per Jensen; S.S. Wesolowski; T.J. Van Huis; Y. Yamaguc ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 97 KB

At the correlation-consistent polarized-valence quadruple-zeta complete active space self-consistent field second-order configuration interaction level of ab initio theory (cc-pVQZ CASSCF-SOCI), we calculated 129 points on the ground electronic state potential energy surface of the water dication H(