Ground- and excited-state properties of inorganic solids from full-potential density-functional calculations

Journal of Solid State Chemistry

Volumn 176, Issue 2, 2003, Pages 338-374

  Ravindran, P ^a   Vidya, R ^a   Vajeeston, P ^a   Kjekshus, A ^a   Fjellvag H ^a  

^a UNIVERSITY OF OSLO   (Norway)

Author keywords

71.20. b; 71.20.Be; 71.20.Lp; 75.50.Cc

Indexed keywords

CHARGE TRANSFER; ELECTRONIC STRUCTURE; GROUND STATE; MAGNETIC MOMENTS; MAGNETOOPTICAL EFFECTS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RAMAN SCATTERING; X RAY PHOTOELECTRON SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY (DFT); ELECTRON LOCALIZATION;

CONDENSATION;

ACTINIDE; INORGANIC COMPOUND; LANTHANIDE; OXIDE; PEROVSKITE; RUTHENIUM DERIVATIVE; TRANSITION ELEMENT;

ACCURACY; ANISOTROPY; CALCULATION; CHEMICAL BOND; CRYSTAL; DENSITY; ELECTRON TRANSPORT; MAGNETISM; MOLECULAR PHYSICS; PREDICTION; RELIABILITY; REVIEW; SOLID; THEORETICAL MODEL;

EID: 0344309256     PISSN: 00224596     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-4596(03)00215-9     Document Type: Article

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