Accuracy of order-N density-functional theory calculations on DNA systems using CONQUEST

Journal of Physics Condensed Matter

Volumn 20, Issue 29, 2008, Pages

  Otsuka, T ^a   Miyazaki, T ^a   Ohno, T ^a   Bowler, D R ^b   Gillan, M J ^b  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; CODES (STANDARDS); CODES (SYMBOLS); DNA; GENES; HYDROGEN; KETONES; NONMETALS; NUCLEIC ACIDS; ORGANIC ACIDS; TESTING; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

ATOMIC ORBITAL (AO); BASE PAIRS; BASIS SETS; CUT-OFF; DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL THEORY (DFT); DNA BASES; DNA SYSTEMS; DNA TESTS; LARGE-SCALE MODELLING;

DENSITY FUNCTIONAL THEORY;

EID: 47249126727     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/29/294201     Document Type: Conference Paper

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