Density Functional Theory as a Data Science-Reference-Cited by-同舟云学术

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Density Functional Theory as a Data Science

Published:2019-12-13 Issue:7 Volume:20 Page:618-639
ISSN:1527-8999
Container-title:The Chemical Record
language:en
Short-container-title:Chem. Rec.

Author:

Tsuneda✶ Takao¹^ORCID

Affiliation:

1. Graduate School of Science, Technology and InnovationKobe University Kobe 657-8501 Japan

Funder

Japanese Ministry of Education, Culture, Sports, Science and Technology

Publisher

Wiley

Subject

Materials Chemistry,General Chemical Engineering,Biochemistry,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/tcr.201900081

Reference118 articles.

1. Density Functional Theory in Quantum Chemistry

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry

4. Generalized Gradient Approximation Made Simple

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3. Defects and self-trapped exciton regulation in rare-earth doped all-inorganic perovskites;Journal of Materials Chemistry C;2024

4. Effect of substituting on the transition dipole moment of the double perovskite Cs₂AgInCl₆;Journal of Physics: Condensed Matter;2023-11-10

5. First-principles study on photoelectric properties of all-inorganic two-dimensional double perovskite Cs₃AgBiBr₇;Physical Chemistry Chemical Physics;2023

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