Ab-initio density-functional lattice-dynamics studies of ice

Canadian Journal of Physics

Volumn 81, Issue 1-2, 2003, Pages 115-122

  Cote A S ^a   Morrison, I ^a   Cui, X ^a   Jenkins, S ^b   Ross, D K ^a  

^a UNIVERSITY OF SALFORD   (United Kingdom)

^b UNIVERSITY WEST   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL METHODS; ELECTRONIC DENSITY OF STATES; FINITE DIFFERENCE METHOD; MOLECULAR DYNAMICS; NEUTRON SCATTERING; PHONONS; PROBABILITY DENSITY FUNCTION;

AB INITIO DENSITY FUNCTIONAL LATTICE DYNAMICS; AB-INITIO PSEUDOPOTENTIAL METHOD; FROZEN PHONON CALCULATION; GENERALIZED GRADIENT APPROXIMATION;

ICE;

EID: 19244378828     PISSN: 00084204     EISSN: None     Source Type: Journal    
DOI: 10.1139/p03-003     Document Type: Article

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