An implementation of the coupled perturbed Kohn-Sham equations: Perturbation due to nuclear displacements

Computer Physics Communications

Volumn 100, Issue 3, 1997, Pages 247-262

  Bérces, Attila ^a   Dickson, Ross M ^a   Fan, Liangyou ^a   Jacobsen, Heiko ^a   Swerhone, David ^a   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SOFTWARE; DIFFERENTIAL EQUATIONS; FINITE DIFFERENCE METHOD; INTEGRAL EQUATIONS; INTEGRATION; MATRIX ALGEBRA; NUCLEAR PHYSICS;

AMSTERDAM DENSITY FUNCTIONAL PROGRAM PACKAGE; COUPLED PERTURBED KOHN-SHAM EQUATIONS; DENSITY FITTING; FROZEN CORE APPROXIMATION; NUCLEAR DISPLACEMENTS;

PERTURBATION TECHNIQUES;

EID: 0038410738     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(96)00120-8     Document Type: Article

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