Note on the generation of Gaussian bases for pseudopotential calculations |
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Authors: | Má rcio H. F. Bettega,Alexandra P. P. Natalense,Marco A. P. Lima,Luiz G. Ferreira |
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Abstract: | 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. © 1996 John Wiley & Sons, Inc. |
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