High-Quality Local Pseudopotentials for Metals-Reference-Cited by-同舟云学术

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High-Quality Local Pseudopotentials for Metals

Published:2024-04-10 Issue:8 Volume:20 Page:3231-3241
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Chi Yu-Chieh¹,Huang Chen²^ORCID

Affiliation:

1. Information Technology Services, California NanoSystems Institute, Center for Scientific Computing, University of California, Santa Barbara, California 93106, United States

2. Department of Scientific Computing, Materials Science and Engineering Program, National High Magnetic Field Laboratory, Florida State University, Tallahassee, Florida 32306, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00101

Reference70 articles.

1. Inhomogeneous Electron Gas

2. Wang, Y. A.; Carter, E. A. Theoretical Methods in Condensed Phase Chemistry; Progress in Theoretical Chemistry and Physics; Kluwer Academic Publishers, 2002; pp 117–184.

3. Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations

4. Self-Consistent Equations Including Exchange and Correlation Effects

5. Nonlocal orbital-free kinetic energy density functional for semiconductors

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Recent advancements and challenges in orbital‐free density functional theory;WIREs Computational Molecular Science;2024-05

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