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Potential energy surface in NaH2and H−H2systems

✍ Scribed by G. K. Ivanov


Book ID
112358314
Publisher
Springer
Year
1979
Tongue
English
Weight
421 KB
Volume
15
Category
Article
ISSN
0040-5760

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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(