First principles studies of magnesium oxide clusters by parallelized Tohoku University Mixed-Basis program TOMBO

Computational Materials Science

Volumn 36, Issue 1-2, 2006, Pages 171-175

  Jain, Amit ^a   Kumar, Vijay ^a,b,c   Sluiter, Marcel ^a   Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c Dr Vijay Kumar Foundation   (India)

Author keywords

All electron mixed basis calculations; Binding energy; Magnesium oxide clusters; Parallel computing; TOMBO

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; PARALLEL PROCESSING SYSTEMS; SUPERCOMPUTERS;

ALL-ELECTRON MIXED-BASIS CALCULATIONS; MAGNESIUM OXIDE CLUSTERS; TOMBO;

MAGNESIA;

EID: 33645032771     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2005.06.007     Document Type: Conference Paper

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