Band Gaps and Optical Spectra of Chlorographene, Fluorographene and Graphane from G0W0, GW0 and GW Calculations on Top of PBE and HSE06 Orbitals

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Title
Band Gaps and Optical Spectra of Chlorographene, Fluorographene and Graphane from G0W0, GW0 and GW Calculations on Top of PBE and HSE06 Orbitals
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 9, Issue 9, Pages 4155-4164
Publisher
American Chemical Society (ACS)
Online
2013-07-11
DOI
10.1021/ct400476r

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