In the current practice of quantum chemistry, it is not clear whether corrections for basis set superposition errors should be applied to the calculation of potential energy curves, in order to improve agreement with experimental data. To examine this question, spectroscopic parameters derived from
β¦ LIBER β¦
CI superposition error caused by bond functions
β Scribed by Charles W. Bauschlicher Jr.
- Book ID
- 107732506
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 279 KB
- Volume
- 74
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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