A note on the Pulay force at finite electronic temperatures

Journal of Chemical Physics

Volumn 129, Issue 24, 2008, Pages

  Niklasson, Anders M N ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE;

AB INITIO SIMULATIONS; COMPUTATIONALLY EFFICIENT; DENSITY MATRIXES; ELECTRONIC STRUCTURE THEORIES; ELECTRONIC TEMPERATURES; IDEMPOTENCY; NONORTHOGONAL BASIS; OPERATOR EXPANSIONS; SET REPRESENTATIONS;

QUANTUM THEORY;

EID: 58149260246     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3036203     Document Type: Article

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