Dependence of the normal modes on the electronic structure of various phases of ice as calculated by ab initio methods

Canadian Journal of Physics

Volumn 81, Issue 1-2, 2003, Pages 225-231

  Jenkins, S ^a   Kirk, S R ^a   Cote A S ^b   Ross, D K ^b   Morrison, I ^b  

^a UNIVERSITY WEST   (Sweden)

^b UNIVERSITY OF SALFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRIC CHARGE; HYDROGEN BONDS; ICE; MATRIX ALGEBRA; NUMERICAL METHODS;

AB INITIO METHODS; ATOMS IN MOLECULES; CHARGE DENSITY DISTRIBUTION; DENSITY FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION;

ELECTRONIC STRUCTURE;

EID: 0042205611     PISSN: 00084204     EISSN: None     Source Type: Journal    
DOI: 10.1139/p03-007     Document Type: Article

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