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Minimization of superposition functionals

✍ Scribed by V. S. Mel'nik


Publisher
Springer US
Year
1994
Tongue
English
Weight
384 KB
Volume
30
Category
Article
ISSN
1573-8337

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The effect of diffuse functions on minim
✍ Giuliano Alagona; Caterina Ghio πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 1003 KB

## Abstract The effect of the addition of diffuse functions of __sp__ type on the first row atoms (and/or of __d__ type on phosphorus) to a MINI‐1 minimal basis set is evaluated by comparing the SCF description of the interaction energy and its decomposition, counterpoise (CP) corrected and uncorre