It is demonstrated that calculations of second-order molecular properties using perturbation-dependent basis sets are most efficiently carried out using the natural connection.
A scheme for the economical use of numerical basis sets in calculations with SIESTA
β Scribed by R. Q. Zhang; Q. Z. Zhang; M. W. Zhao
- Publisher
- Springer
- Year
- 2004
- Tongue
- English
- Weight
- 215 KB
- Volume
- 112
- Category
- Article
- ISSN
- 1432-2234
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