Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations

Journal of Chemical Physics

Volumn 138, Issue 10, 2013, Pages

  Willand, Alex ^a   Kvashnin, Yaroslav O ^b   Genovese, Luigi ^c   Vázquez Mayagoitia, Álvaro ^d   Deb, Arpan Krishna ^c   Sadeghi, Ali ^a   Deutsch, Thierry ^c   Goedecker, Stefan ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

^b EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

^c UNIV GRENOBLE ALPES   (France)

^d ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; CRYSTALLINE SOLIDS; DISPERSION CORRECTION; GAUSSIAN BASIS SETS; HIGH-PRESSURE PHASIS; INTERACTION ENERGIES; NORM-CONSERVING PSEUDOPOTENTIALS; PERDEW-BURKE-ERNZERHOF;

PHYSICAL CHEMISTRY; PHYSICS;

CHEMICAL ELEMENTS;

EID: 84875137290     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4793260     Document Type: Article

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