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The Second-order Imaginary Plane Method and its calculation accuracy

✍ Scribed by Peng Dong; Xiaodong Chen; Tong Zhu; Yukun Qin

Book ID
107433025
Publisher
Springer-Verlag
Year
1997
Tongue
English
Weight
348 KB
Volume
6
Category
Article
ISSN
1003-2169

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πŸ“œ SIMILAR VOLUMES

Calculation of hyperfine coupling consta
Calculation of hyperfine coupling constants using second order double perturbation theory and the configuration interaction method
✍ B. Burton; T.A. Claxton; Y. Ellinger πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science 🌐 English βš– 354 KB

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.