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.

Additional indexing

Item Type:	Journal Article, refereed, original work
Communities & Collections:	07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:	540 Chemistry
Scopus Subject Areas:	Physical Sciences > Computer Science Applications Physical Sciences > Physical and Theoretical 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 Feb 2025 04:37
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:	Funder: SNSF Grant ID: P2ZHP2_168444 Project Title: Accurate Simulation of Core-Level Spectra: Implementation and Application to large Molecular Systems Funder: FP7 Grant ID: 284621 Project Title: EUCYS2011 - European Union Contest for Young Scientists 2011