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On the evaluation of two-electron integrals in Hylleraas coordinates

✍ Scribed by Zong-Chao Yan; G.W.F. Drake


Book ID
107736607
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
267 KB
Volume
259
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES


The Hylleraas-CI method in molecular cal
✍ A. Largo-Cabrerizo; E. Clementi πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 593 KB

In the Hylleraas-CI method, first proposed by Sims and Hagstrom, correlation factors of the type r& are included into the configurations of a CI expansion. The computation of the matrix elements requires the evaluation of different two-, three-, and four-electron integrals. In this article we presen