ABINIT: First-principles approach to material and nanosystem properties

Computer Physics Communications

Volumn 180, Issue 12, 2009, Pages 2582-2615

  Gonze, X ^a,b   Amadon, B ^d   Anglade, P M ^e   Beuken, J M ^a,b   Bottin, F ^d   Boulanger, P ^a,b,o   Bruneval, F ^q   Caliste, D ^b,j   Caracas, R ^l   Cote M ^o   Deutsch, T ^j   Genovese, L ^b,i   Ghosez, Ph ^h,k   Giantomassi, M ^a,b   Goedecker, S ^c   Hamann, D R ^m   Hermet, P ^k,p   Jollet, F ^d   Jomard, G ^d   Leroux, S ^d   Mancini, M ^d   Mazevet, S ^d   Oliveira, M J T ^a,b   Onida, G ^b,n   Pouillon, Y ^a,b,g   Rangel, T ^a,b   Rignanese, G M ^a,b   Sangalli, D ^b,n   Shaltaf, R ^a,b   Torrent, M ^d   Verstraete, M J ^a,b,g,r   Zerah, G ^d   Zwanziger, J W ^f   more..

^a UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

^b European Theoretical Spectroscopy Facility   (Belgium)

^c UNIVERSITY OF BASEL   (Switzerland)

^d DIF   (France)

^e UNIVERSITÉ DE CAEN   (France)

^f DALHOUSIE UNIVERSITY   (Canada)

^g UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^h European Multifunctional Materials Institute

ⁱ EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

^j CEA GRENOBLE   (France)

^k UNIVERSITY OF LIÈGE   (Belgium)

^l UNIVERSITÉ DE LYON   (France)

^m Mat Sim Research LLC   (United States)

ⁿ UNIVERSITY OF MILAN   (Italy)

^o UNIVERSITÉ DE MONTRÉAL   (Canada)

^p UNIVERSITY OF NAMUR   (Belgium)

^q SERVICE DE RECHERCHES DE MÉTALLURGIE PHYSIQUE   (France)

^r UNIVERSITY OF YORK   (United Kingdom)

more..

Author keywords

Density Functional Theory; Electronic structure; First principles calculation; Many Body Perturbation Theory

Indexed keywords

APPLICATION PROGRAMS; CALCULATIONS; COMPUTATION THEORY; COMPUTER PROGRAMMING; DIELECTRIC PROPERTIES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MAGNETIC COUPLINGS; NANOSTRUCTURES; NANOSYSTEMS; OPTICAL PROPERTIES; PERTURBATION TECHNIQUES; PROGRAM COMPILERS; TIME VARYING SYSTEMS;

CATALOGUE IDENTIFIERS; FIRST-PRINCIPLES APPROACHES; FIRST-PRINCIPLES CALCULATION; MANY BODY PERTURBATION THEORY; PROJECTOR AUGMENTED WAVES; SOFTWARE APPLICATIONS; VIBRATIONAL LIFETIME; VIBRATIONAL PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 70449533121     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2009.07.007     Document Type: Article

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