PyCDFT: A Python package for constrained density functional theory
dc.contributor.author
Ma, He
dc.contributor.author
Wang, Wennie
dc.contributor.author
Kim, Siyoung
dc.contributor.author
Cheng, Man-Hin
dc.contributor.author
Govoni, Marco
dc.contributor.author
Galli, Giulia
dc.date.accessioned
2020-06-17T07:41:09Z
dc.date.available
2020-06-16T11:20:04Z
dc.date.available
2020-06-16T11:26:36Z
dc.date.available
2020-06-17T07:41:09Z
dc.date.issued
2020-07-30
dc.identifier.issn
0192-8651
dc.identifier.issn
1096-987X
dc.identifier.other
10.1002/jcc.26354
en_US
dc.identifier.uri
http://hdl.handle.net/20.500.11850/420653
dc.language.iso
en
en_US
dc.publisher
Wiley
en_US
dc.subject
charge transfer
en_US
dc.subject
constrained density functional theory
en_US
dc.subject
diabatic states
en_US
dc.subject
electronic coupling
en_US
dc.subject
Python
en_US
dc.title
PyCDFT: A Python package for constrained density functional theory
en_US
dc.type
Journal Article
dc.date.published
2020-06-04
ethz.journal.title
Journal of Computational Chemistry
ethz.journal.volume
41
en_US
ethz.journal.issue
20
en_US
ethz.journal.abbreviated
J Comput Chem
ethz.pages.start
1859
en_US
ethz.pages.end
1867
en_US
ethz.identifier.wos
ethz.identifier.scopus
ethz.publication.place
New York, NY
en_US
ethz.publication.status
published
en_US
ethz.date.deposited
2020-06-16T11:20:09Z
ethz.source
WOS
ethz.eth
yes
en_US
ethz.availability
Metadata only
en_US
ethz.rosetta.installDate
2020-06-17T07:41:34Z
ethz.rosetta.lastUpdated
2021-02-15T14:44:05Z
ethz.rosetta.versionExported
true
ethz.COinS
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