The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulations

Please use this identifier to cite or link to this item: http://bura.brunel.ac.uk/handle/2438/19562

Full metadata record

DC Field	Value	Language
dc.contributor.author	Fang, C	-
dc.contributor.author	Li, W-F	-
dc.contributor.author	Koster, RS	-
dc.contributor.author	Klimeš, J	-
dc.contributor.author	van Blaaderen, A	-
dc.contributor.author	van Huis, MA	-
dc.date.accessioned	2019-11-12T13:57:43Z	-
dc.date.available	2019-11-12T13:57:43Z	-
dc.date.issued	2014-10-31	-
dc.identifier.citation	Physical Chemistry Chemical Physics, 2015, 17 (1), pp. 365 - 375	en_US
dc.identifier.issn	1463-9076	-
dc.identifier.uri	https://bura.brunel.ac.uk/handle/2438/19562	-
dc.description.sponsorship	MvH acknowledges a VIDI grant from the Dutch Science Foundation NWO. JK was supported by the Austrian Science Fund (FWF) within the SFB ViCoM (Grant F 41).	-
dc.format.extent	365 - 375	-
dc.language	en	-
dc.language.iso	en	en_US
dc.publisher	Royal Society of Chemistry (RSC)	en_US
dc.title	The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulations	en_US
dc.type	Article	en_US
dc.identifier.doi	https://doi.org/10.1039/c4cp04202f	-
dc.relation.isPartOf	Physical Chemistry Chemical Physics	-
pubs.issue	1	-
pubs.publication-status	Published online	-
pubs.volume	17	-
dc.identifier.eissn	1463-9084	-
Appears in Collections:	Brunel Centre for Advanced Solidification Technology (BCAST)

Files in This Item:

File	Description	Size	Format
Fulltext.pdf		1.73 MB	Adobe PDF	View/Open