How Interatomic Steps in the Exact Kohn–Sham Potential Relate to Derivative Discontinuities of the Energy-Reference-Cited by-同舟云学术

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How Interatomic Steps in the Exact Kohn–Sham Potential Relate to Derivative Discontinuities of the Energy

Published:2017-12-01 Issue:24 Volume:8 Page:5974-5980
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Hodgson M. J. P.¹,Kraisler Eli¹^ORCID,Schild Axel²,Gross E. K. U.¹³

Affiliation:

1. Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany

2. Laboratorium für Physikalische Chemie, ETH Zürich, 8093 Zürich, Switzerland

3. Fritz Haber Center for Molecular Dynamics, Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904, Israel

Funder

Alexander von Humboldt-Stiftung

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.7b02615

Reference123 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Density Functional Theory

4. Lectures in Physics;Fiolhais C.,2003

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