On the optimization of gaussian basis sets

Journal of Chemical Physics

Volumn 118, Issue 3, 2003, Pages 1101-1109

  Petersson, George A ^a   Zhong, Shijun ^a   Montgomery Jr , John A ^b   Frisch, Michael J ^b  

^a WESLEYAN UNIVERSITY   (United States)

^b GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARBON; FINITE DIFFERENCE METHOD; GROUND STATE; HELIUM; HYDROGEN; MOLECULES; NITROGEN; OPTIMIZATION; POLYNOMIALS;

ATOMIC ORBITAL; GAUSSIAN BASIS SET; LEGENDRE POLYNOMIAL; SELF-CONSISTENT FIELD;

ELECTRONIC STRUCTURE;

EID: 0037439711     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1516801     Document Type: Article

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