Fuzzy fragment selection strategies, basis set dependence and HF-DFT comparisons in the applications of the ADMA method of macromolecular quantum chemistry

International Journal of Quantum Chemistry

Volumn 104, Issue 6, 2005, Pages 847-860

  Szekeres, Zsolt ^a,b   Exner, Thomas ^a,c   Mezey, Paul G ^a,b  

^a MEMORIAL UNIVERSITY OF NEWFOUNDLAND   (Canada)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^c UNIVERSITY OF KONSTANZ   (Germany)

Author keywords

ADMA; Fragment methods; Linear scaling

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; FUNCTIONS; HEMOGLOBIN; MACROMOLECULES; MATRIX ALGEBRA; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

ADJUSTABLE DENSITY MATRIC ASSEMBLER (ADMA); DISTANCE PARAMETERS; FRAGMENT METHODS; LINEAR SCALING;

FUZZY CONTROL;

EID: 26944478217     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20616     Document Type: Article

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