Efficient and reliable numerical integration of exchange-correlation energies and potentials

Journal of Chemical Physics

Volumn 121, Issue 2, 2004, Pages 681-690

  Köster, Andreas M ^a   Flores Moreno, Roberto ^a   Reveles, J Ulises ^a  

^a DEPARTAMENTO DE FÍSICA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BENZENE; ELECTRONIC STRUCTURE; ERROR ANALYSIS; FUNCTION EVALUATION; INTEGRATION; ITERATIVE METHODS; MATRIX ALGEBRA; MOLECULAR STRUCTURE; POLYNOMIALS; PROBABILITY DENSITY FUNCTION; RELIABILITY; TRANSITION METALS;

ADAPTIVE NUMERICAL INTEGRATORS; EXCHANGE-CORRELATION ENERGY; MOLECULAR DENSITY FUNCTIONAL THEORY; SELF-CONSISTENT FIELDS (SCF);

MOLECULAR DYNAMICS;

EID: 3242727978     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1759323     Document Type: Article

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