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Calculation of hyperfine coupling constants using second order double perturbation theory and the configuration interaction method

✍ Scribed by B. Burton; T.A. Claxton; Y. Ellinger

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
354 KB
Volume
17
Category
Article
ISSN
0010-4655

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✦ Synopsis

First and second order double perturbation theory using the Epstein-Nesbet partition was used to calculate hyperfine coupling constants for H 2NO. The results are compared with configuration interaction calculations with all single, double and some triple excitations.

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