TAO-DFT fictitious temperature made simple-Reference-Cited by-同舟云学术

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TAO-DFT fictitious temperature made simple

Published:2022 Issue:19 Volume:12 Page:12193-12210
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Chen Bo-Jyun¹,Chai Jeng-Da¹²³^ORCID

Affiliation:

1. Department of Physics, National Taiwan University, Taipei 10617, Taiwan

2. Center for Theoretical Physics, Center for Quantum Science and Engineering, National Taiwan University, Taipei 10617, Taiwan

3. Physics Division, National Center for Theoretical Sciences, Taipei 10617, Taiwan

Abstract

Optimal system-independent fictitious temperature θ of TAO-GH as a function of the fraction of exact exchange ax.

Funder

Physics Division, National Center for Theoretical Sciences

National Taiwan University

Ministry of Science and Technology, Taiwan

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA01632J

Reference106 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Orbital-dependent density functionals: Theory and applications

4. Insights into Current Limitations of Density Functional Theory

5. Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed

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