## 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 MINIβ1 minimal basis set is evaluated by comparing the SCF description of the interaction energy and its decomposition, counterpoise (CP) corrected and uncorre
Basis set effects on the calculated bonding energies of neutral benzene dimers: importance of diffuse polarization functions
β Scribed by Seiji Tsuzuki; Tadafumi Uchimaru; Masuhiro Mikami; Kazutoshi Tanabe
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 351 KB
- Volume
- 252
- Category
- Article
- ISSN
- 0009-2614
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