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On a simple configuration interaction method using non-orthogonal basis functions

✍ Scribed by L. Urbán


Book ID
112998940
Publisher
Springer-Verlag
Year
1969
Weight
166 KB
Volume
27
Category
Article
ISSN
0001-6705

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📜 SIMILAR VOLUMES


Non-orthogonal orbitals in MCHF or confi
✍ A. Hibbert; C. Froese Fischer; M.R. Godefroid 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 651 KB

The method of calculating interaction matrix elements between multi-configurational wave functions, given by Fano (1965) for orthogonal orbitals, is extended to allow the use of non-orthogonal orbitals. We allow up to two subshells in each configuration function which contain spectator (non-interact