Density functional tight binding

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 372, Issue 2011, 2014, Pages

  Elstner, Marcus ^a   Seifert, Gotthard ^b  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Density functional tight binding; Density functional theory; Semi empirical methods

Indexed keywords

ATOMS; TAYLOR SERIES;

ADJUSTABLE PARAMETERS; COMPUTATIONALLY EFFICIENT; DENSITY FUNCTIONAL TIGHT BINDING METHOD; DENSITY FUNCTIONAL TIGHT BINDINGS; GROUND-STATE DENSITY; NUCLEAR REPULSION ENERGY; SEMI-EMPIRICAL METHODS; TAYLOR SERIES EXPANSIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84894244846     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2012.0483     Document Type: Review

References (51)

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