The computation of Karplus equation coefficients and their components using self-consistent field and second-order polarization propagator methods

Molecular Physics

Volumn 98, Issue 23, 2000, Pages 1981-1990

  Grayson, M ^a   Sauer, S P A ^b  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NUMERICAL METHODS;

KARPLUS EQUATION; SECOND ORDER POLARIZATION PROPAGATOR APPROXIMATION; SELF CONSISTENT FIELD; SPIN SPIN COUPLING CONSTANTS;

ETHANE;

EID: 0034635071     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970009483401     Document Type: Article

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