## 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
How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?
✍ Scribed by Simon, Sílvia; Duran, Miquel; Dannenberg, J. J.
- Book ID
- 111943273
- Publisher
- American Institute of Physics
- Year
- 1996
- Tongue
- English
- Weight
- 349 KB
- Volume
- 105
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.472902
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