Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors-Reference-Cited by-同舟云学术

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Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors

Published:2015-08-14 Issue:6 Volume:143 Page:064710
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Skelton Jonathan M.¹,Tiana Davide¹^ORCID,Parker Stephen C.¹,Togo Atsushi²,Tanaka Isao²³,Walsh Aron¹

Affiliation:

1. Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, United Kingdom

2. Elements Strategy Initiative for Structural Materials, Kyoto University, Sakyo, Kyoto 606-8501, Japan

3. Department of Materials Science and Engineering, Kyoto University, Sakyo, Kyoto 606-8501, Japan

Funder

Engineering and Physical Sciences Research Council (EPSRC)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://scitation.aip.org/deliver/fulltext/aip/journal/jcp/143/6/1.4928058.pdf?itemId=/content/aip/journal/jcp/143/6/10.1063/1.4928058&mimeType=pdf&containerItemId=content/aip/journal/jcp

Reference100 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

4. Jacob’s ladder of density functional approximations for the exchange-correlation energy

5. Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

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