A self-contained and portable density functional theory library for use in ab initio quantum chemistry programs

Journal of Computational Chemistry

Volumn 28, Issue 16, 2007, Pages 2569-2575

  SaŁek, Paweł ^a   Hesselmann, Andreas ^b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

Automatic code generation; Density functional theory; LDA

Indexed keywords

APPROXIMATION THEORY; AUTOMATIC PROGRAMMING; PROBLEM SOLVING; PROGRAM COMPILERS; QUANTUM CHEMISTRY;

AUTOMATIC CODE GENERATION; AUTOMATIC TEST ROUTINES; FUNCTIONALS;

DENSITY FUNCTIONAL THEORY;

EID: 35948945793     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20758     Document Type: Article

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