Structural properties of lanthanide and actinide compounds within the plane wave pseudopotential approach

Physical Review Letters

Volumn 85, Issue 24, 2000, Pages 5122-5125

  Pickard, Chris J ^a   Winkler, Björn ^a   Chen, Roger K ^b   Payne, M C ^b   Lee, M H ^c   Lin, J S ^c   White, J A ^d   Milman, V ^d   Vanderbilt, David ^e  

^a UNIVERSITY OF KIEL   (Germany)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c TAMKANG UNIVERSITY   (Taiwan)

^d Molecular Simulations   (United Kingdom)

^e State University of New Jersey   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CERIUM COMPOUNDS; ELECTRONS; LANTHANUM COMPOUNDS; LUTETIUM; MOLECULAR DYNAMICS; NEODYMIUM COMPOUNDS; NUMERICAL METHODS; PROBABILITY DENSITY FUNCTION; THULIUM COMPOUNDS; URANIUM COMPOUNDS; YTTERBIUM COMPOUNDS;

ACTINIDE COMPOUNDS; GENERALIZED GRADIENT APPROXIMATION; LOCAL DENSITY APPROXIMATION; PLANE WAVE ULTRASOFT PSEUDOPOTENTIAL METHODS; STRUCTURAL PROPERTIES;

ELECTRONIC STRUCTURE;

EID: 0034428129     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.85.5122     Document Type: Article

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