Artículos de revistas
Note on the generation of Gaussian bases for pseudopotential calculations
Registro en:
International Journal Of Quantum Chemistry. John Wiley & Sons Inc, v. 60, n. 4, n. 821, n. 824, 1996.
0020-7608
WOS:A1996VM44200004
10.1002/(SICI)1097-461X(1996)60:4<821
Autor
Bettega, MHF
Natalense, APP
Lima, MAP
Ferreira, LG
Institución
Resumen
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. 60 4 821 824