Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis-Reference-Cited by-同舟云学术

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

Published:2018-08-09 Issue:9 Volume:14 Page:4856-4869
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Golze Dorothea¹²^ORCID,Wilhelm Jan³,van Setten Michiel J.⁴^ORCID,Rinke Patrick¹

Affiliation:

1. Department of Applied Physics, Aalto University, Otakaari 1, FI-02150 Espoo, Finland

2. Department of Electrical Engineering and Automation, Aalto University, PO Box 13500, 00076 Aalto, Finland

3. Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland

4. Nanoscopic Physics, Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, 1348 Louvain-la-Neuve, Belgium

Funder

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Suomen Akatemia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00458

Reference124 articles.

1. Advances in the Application of X-Ray Photoelectron Spectroscopy (ESCA) Part I. Foundation and Established Methods

2. Core-level binding-energy shifts at surfaces and in solids

3. The interpretation of XPS spectra: Insights into materials properties

4. Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding

5. Siegbahn, K.; Nordling, C.; Johansson, G.; Hedman, J.; Hedén, P. F.; Hamrin, K.; Gelius, U.; Bergmark, T.; Werme, L. O.; Manne, R.; Baer, Y. ESCA Applied to Free Molecules; North-Holland Publishing Company: Amsterdam, London, 1969; pp 51–136.

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