Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 47(17), p. 31360-31370, 2015
DOI: 10.1039/c5cp00437c
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Accurate and efficient linear scaling DFT calculations with universal applicability
Journal article published in 2015 by
Stephan Mohr 
,
Laura Elizabeth Ratcliff,
Luigi Genovese ,
Damien Caliste,
Paul Boulanger,
Stefan Goedecker,
Thierry Deutsch
,
Laura Elizabeth Ratcliff,
Luigi Genovese ,
Damien Caliste,
Paul Boulanger,
Stefan Goedecker,
Thierry Deutsch
This paper is available in a repository.
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Abstract
Density functional theory calculations are computationally extremely expensive for systems containing many atoms due to their intrinsic cubic scaling.