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Spectral Quadrature method for accurate O(N) electronic structure calculations of metals and insulators

Authors :
Pratapa, Phanisri P.
Suryanarayana, Phanish
Pask, John E.
Source :
Computer Physics Communications. 200:96-107
Publication Year :
2016
Publisher :
Elsevier BV, 2016.

Details

ISSN :
00104655
Volume :
200
Database :
OpenAIRE
Journal :
Computer Physics Communications
Accession number :
edsair.base.oa.......30bb2b473a4a373e515aaf5f8d750ccf
Full Text :
https://doi.org/10.1016/j.cpc.2015.11.005