The convergence of complete active space self-consistent-field energies to the complete basis set limit

Journal of Chemical Physics

Volumn 123, Issue 7, 2005, Pages

  Petersson, George A ^a   Malick, David K ^a   Frisch, Michael J ^b   Braunstein, Matthew ^c  

^a WESLEYAN UNIVERSITY   (United States)

^b GAUSSIAN INC   (United States)

^c SPECTRAL SCIENCES INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SET LIMIT; FIELD ENERGIES; HARTREE-FOCK ENERGIES; TRUNCATION;

CONVERGENCE OF NUMERICAL METHODS; ELECTRONIC STRUCTURE; ERROR ANALYSIS; EXTRAPOLATION; MOLECULAR DYNAMICS;

HIGH ENERGY PHYSICS;

EID: 34547926158     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1999630     Document Type: Article

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