B-splines and NURBS based finite element methods for Kohn-Sham equations

Computer Methods in Applied Mechanics and Engineering

Volumn 241-244, Issue , 2012, Pages 112-127

  Masud, Arif ^a   Kannan, Raguraman ^a  

^a University of Illinois at Urbana Champaign   (United States)

Author keywords

B splines; Finite elements; Kohn Sham equations; NURBS; Quantum mechanics; Schr dinger wave equation

Indexed keywords

B SPLINES; BASIS FUNCTIONS; CONVERGENCE PROPERTIES; EXCHANGE-CORRELATION POTENTIAL; FINITE ELEMENT; GALERKIN FORMULATION; GENERALIZED EIGENVALUE PROBLEMS; HARTREE POTENTIAL; KOHN SHAM EQUATIONS; LAGRANGE BASIS; NONLOCAL; NURBS; PLANE WAVE; POISSON PROBLEM; PSEUDOPOTENTIALS; SELF-CONSISTENT SOLUTION; SEMICONDUCTING MATERIALS; TEST CASE;

EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; FINITE ELEMENT METHOD; GALERKIN METHODS; GALLIUM ARSENIDE; GRAPHENE; POISSON EQUATION; QUANTUM THEORY; WAVE EQUATIONS;

INTERPOLATION;

EID: 84863458179     PISSN: 00457825     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cma.2012.04.016     Document Type: Article

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