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Use of perturbation methods for the study of configuration interaction effects

✍ Scribed by S. Diner; J. P. Malrieu; F. Jordan; P. Claverie

Publisher: Springer
Year: 1970
Tongue: English
Weight: 606 KB
Volume: 18
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00529128

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📜 SIMILAR VOLUMES

Use of perturbation methods for the stud

Use of perturbation methods for the study of configuration interaction effects

✍ J. P. Malrieu; P. Claverie; S. Diner 📂 Article 📅 1967 🏛 Springer 🌐 English ⚖ 996 KB

The use of perturbation methods for the

The use of perturbation methods for the study of the effects of configuration interaction

✍ S. Diner; J. P. Malrieu; P. Claverie 📂 Article 📅 1967 🏛 Springer 🌐 English ⚖ 828 KB

The calculation of ionization potentials

The calculation of ionization potentials by configuration interaction and perturbation methods

✍ G.B. Bacskay 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 340 KB

Systematic Study of Selected Diagonaliza

Systematic Study of Selected Diagonalization Methods for Configuration Interaction Matrices

✍ Matthew L. Leininger; C. David Sherrill; Wesley D. Allen; Henry F. Schaefer III 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 220 KB

## Abstract Several modifications to the Davidson algorithm are systematically explored to establish their performance for an assortment of configuration interaction (CI) computations. The combination of a generalized Davidson method, a periodic two‐vector subspace collapse, and a blocked Davidson

Comparison of configuration-interaction

Comparison of configuration-interaction methods for F2

✍ Frank E. Harris; H. H. Michels 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 388 KB

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 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 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.