Accelerating self-consistent field convergence with the augmented Roothaan-Hall energy function

Journal of Chemical Physics

Volumn 132, Issue 5, 2010, Pages

  Hu, Xiangqian ^a   Yang, Weitao ^a  

^a DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIRECT INVERSION; ENERGY FUNCTIONS; LINEAR COEFFICIENTS; OBJECT FUNCTIONS; SCF CONVERGENCE; SELF-CONSISTENT FIELD;

CURRENT VOLTAGE CHARACTERISTICS;

ACCELERATION; ARTICLE; BIOPHYSICS; COMPUTER ASSISTED DIAGNOSIS; COMPUTER SIMULATION; EQUIPMENT DESIGN; METHODOLOGY; PROTEIN CONFORMATION; QUANTUM THEORY;

ACCELERATION; BIOPHYSICS; COMPUTER SIMULATION; EQUIPMENT DESIGN; IMAGE INTERPRETATION, COMPUTER-ASSISTED; PROTEIN CONFORMATION; QUANTUM THEORY;

EID: 76349098497     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3304922     Document Type: Article

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