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Simulation of All-Order Density-Functional Perturbation Theory, Using the Second Order and the Strong-Correlation Limit

✍ Scribed by Seidl, Michael; Perdew, John P.; Kurth, Stefan


Book ID
124156942
Publisher
The American Physical Society
Year
2000
Tongue
English
Weight
74 KB
Volume
84
Category
Article
ISSN
0031-9007

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Calculation of hyperfine coupling consta
✍ 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.