The Pseudopotential Method: A Test of the Usability of a Simple Pseudopotential
β Scribed by H. van Hooste; F. F. Roelandt; D. F. De Van Vondel; G. P. Der Van Kelen
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 197 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0037-9646
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π SIMILAR VOLUMES
We present a technique to generate Cartesian Gaussian bases for electronic configuration and cross-section calculations on molecules. The technique is specially useful for pseudopotential work, when the bases cannot be tabulated because they depend on the specific choice of the pseudopotential.
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