Finite electric field in density functional calculations with periodic boundary conditions

Computational Materials Science

Volumn 30, Issue 1-2 SPEC ISS., 2004, Pages 116-119

  Umari, P ^a   Pasquarello, Alfredo ^b  

^a EPFL   (Switzerland)

^b INSTITUT ROMAND DE RECHERCHE NUMÉRIQUE EN PHYSIQUE DES MATÉRIAUX IRRMA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; ELECTRONIC STRUCTURE; MAGNESIA; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PERMITTIVITY; PERTURBATION TECHNIQUES; PHONONS; POLARIZATION; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES;

ATOMIC CONFIGURATION; ATOMIC FORCES; ATOMIC RELAXATION; VIBRATIONAL FREQUENCIES;

ELECTRIC FIELD EFFECTS;

EID: 1942484903     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.01.018     Document Type: Conference Paper

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