Optimal finite-range atomic basis sets for liquid water and ice

Journal of Physics Condensed Matter

Volumn 25, Issue 43, 2013, Pages

  Corsetti, Fabiano ^a   Fernandez Serra M V ^b   Soler, José M ^c   Artacho, Emilio ^a,d,e,f  

^a CIC NANOGUNE   (Spain)

^b STONY BROOK UNIVERSITY   (United States)

^c UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^d UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^e BASQUE FOUNDATION FOR SCIENCE   (Spain)

^f DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ABSOLUTE PRESSURE; ATOMIC BASIS SET; ATOMIC-ORBITAL BASIS; BASIS FUNCTIONS; ENERGY DIFFERENCES; FIRST PRINCIPLES METHOD; PHASES OF ICES; POLARIZATION ORBITALS;

DIMERS; KINETICS; NUMERICAL METHODS; QUANTUM CHEMISTRY;

LIQUIDS;

EID: 84886927910     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/43/435504     Document Type: Article

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