Dielectric properties of water ice, the ice ih/xi phase transition, and an assessment of density functional theory

Journal of Physical Chemistry B

Volumn 118, Issue 2, 2014, Pages 590-596

  Schönherr, Mandes ^a   Slater, Ben ^b   Hutter, Jürg ^a   Vandevondele, Joost ^c  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONALS; HYBRID FUNCTIONAL; ISOBARIC-ISOTHERMAL ENSEMBLE; LINEAR THERMAL EXPANSION COEFFICIENTS; MASSIVELY PARALLEL COMPUTERS; MONTE CARLO ALGORITHMS; SEMILOCAL FUNCTIONALS; TEMPERATURE DEPENDENT;

DENSITY FUNCTIONAL THEORY; DIELECTRIC PROPERTIES; DIPOLE MOMENT; ELECTRONIC STRUCTURE; HYDROGEN; MONTE CARLO METHODS; TEMPERATURE; TREES (MATHEMATICS);

ICE;

EID: 84892718009     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp4103355     Document Type: Article

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