Open AccessLinear-scaling first-principles molecular dynamics with plane-waves accuracy
Author(s) -
JeanLuc Fattebert,
François Gygi
Publication year - 2006
Publication title -
physical review b
Language(s) - Uncategorized
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.73.115124
Subject(s) - scaling , atomic orbital , linear scale , physics , verlet integration , molecular dynamics , radius , discretization , space (punctuation) , statistical physics , plane (geometry) , plane wave , density functional theory , quantum mechanics , computer science , mathematical analysis , geometry , mathematics , geodesy , geography , computer security , operating system , electron
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