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Type: Artigo de periódico
Title: Note on the generation of Gaussian bases for pseudopotential calculations
Author: Bettega, MHF
Natalense, APP
Lima, MAP
Ferreira, LG
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. (C) 1996 John Wiley & Sons, Inc.
Editor: John Wiley & Sons Inc
Citation: International Journal Of Quantum Chemistry. John Wiley & Sons Inc, v. 60, n. 4, n. 821, n. 824, 1996.
Rights: fechado
Identifier DOI: 10.1002/(SICI)1097-461X(1996)60:4<821
Date Issue: 1996
Appears in Collections:Unicamp - Artigos e Outros Documentos

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