Band Gap in Magnetic Insulators from a Charge Transition Level Approach-Reference-Cited by-同舟云学术

Band Gap in Magnetic Insulators from a Charge Transition Level Approach

Published:2020-05-19 Issue:6 Volume:16 Page:3786-3798
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cipriano Luis A.¹,Di Liberto Giovanni¹^ORCID,Tosoni Sergio¹^ORCID,Pacchioni Gianfranco¹^ORCID

Affiliation:

1. Dipartimento di Scienza dei Materiali, Università di Milano—Bicocca, via R. Cozzi 55, 20125 Milano, Italy

Funder

Ministero dell'Istruzione, dell'Universit? e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00134

Reference107 articles.

1. Understanding band gaps of solids in generalized Kohn–Sham theory

2. An Empirical, yet Practical Way To Predict the Band Gap in Solids by Using Density Functional Band Structure Calculations

3. Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

4. Discontinuous Nature of the Exchange-Correlation Functional in Strongly Correlated Systems

5. Zhang, Y.; Furness, J.; Zhang, R.; Wang, Z.; Zunger, A.; Sun, J. Symmetry-Breaking Polymorphous Descriptions for Correlated Materials without Interelectronic U, arXiv:1906.06467. arXiv.org e-Print archive. https//arxiv.org/pdf/1906.06467 (submitted Jun 15, 2019).

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