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Efficient Parameterization of Density Functional Tight-Bi... | ResearchHub
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Efficient Parameterization of Density Functional Tight-Binding for 5f-Elements: A Th–O Case Study
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Authors
Chang Liu
4 more
Chang Liu
•
Néstor Aguirre
2 more
•
Ping Yang
Published
July 11, 2024
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Journal
Journal of Chemical Theory and Computation
Topics
Computer Science
Computational Chemistry
Physics
Chemistry
Materials Chemistry
Show all topics
DOI
10.1021/acs.jctc.4c00145
License
CC-BY-NC-ND
Other Formats
PDF
Supporters
Support the authors with ResearchCoin
Tip RSC
Journal
Journal of Chemical Theory and Computation
Topics
Computer Science
Computational Chemistry
Physics
Chemistry
Materials Chemistry
Show all topics
DOI
10.1021/acs.jctc.4c00145
License
CC-BY-NC-ND
Other Formats
PDF