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Calculation of radiation characteristics of diatomic and some triatomic molecules

โœ Scribed by G. S. Romanov; V. I. Tolkach


Book ID
110631311
Publisher
Springer US
Year
1999
Tongue
English
Weight
605 KB
Volume
72
Category
Article
ISSN
1573-871X

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The electron affinity of several diatomic and triatomic molecules is computed with an error of less than 0.1 eV usmg the second-order Msller-Plesset method and a 6-311+ G(2d,2p) basis set. The importance of the zero-point energy correction is tested and a comparison with the results obtained with ot