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Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
Metadata only
Datum
2005-04-15Typ
- Journal Article
ETH Bibliographie
yes
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Publikationsstatus
publishedExterne Links
Zeitschrift / Serie
Computer Physics CommunicationsBand
Seiten / Artikelnummer
Verlag
ElsevierThema
Density functional theory (DFF); Gaussian and plane waves method (GPW); Linear scaling electronic structure methods; Ab initio molecular dynamicsOrganisationseinheit
03575 - Parrinello, Michele (ehemalig) / Parrinello, Michele (former)
Anmerkungen
Received 8 October 2004, Accepted 21 December 2004, Available online 14 March 2005.ETH Bibliographie
yes
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