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Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis


Golze, Dorothea; Wilhelm, Jan; van Setten, Michiel J; Rinke, Patrick (2018). Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis. Journal of Chemical Theory and Computation, 14(9):4856-4869.

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Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Uncontrolled Keywords:Physical and Theoretical Chemistry, Computer Science Applications
Language:English
Date:11 September 2018
Deposited On:23 Nov 2018 14:46
Last Modified:24 Nov 2018 08:32
Publisher:American Chemical Society (ACS)
ISSN:1549-9618
OA Status:Closed
Free access at:Publisher DOI. An embargo period may apply.
Publisher DOI:https://doi.org/10.1021/acs.jctc.8b00458
Project Information:
  • : FunderSNSF
  • : Grant IDP2ZHP2_168444
  • : Project TitleAccurate Simulation of Core-Level Spectra: Implementation and Application to large Molecular Systems
  • : FunderFP7
  • : Grant ID284621
  • : Project TitleEUCYS2011 - European Union Contest for Young Scientists 2011

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