Excitation energies from thermally assisted-occupation density functional theory: Theory and computational implementation-Reference-Cited by-同舟云学术

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Excitation energies from thermally assisted-occupation density functional theory: Theory and computational implementation

Published:2020-08-28 Issue:8 Volume:153 Page:084120
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Yeh Shu-Hao¹²,Manjanath Aaditya¹^ORCID,Cheng Yuan-Chung²^ORCID,Chai Jeng-Da³⁴^ORCID,Hsu Chao-Ping¹^ORCID

Affiliation:

1. Institute of Chemistry, Academia Sinica, Taipei 11529, Taiwan

2. Department of Chemistry, National Taiwan University, Taipei 10617, Taiwan

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

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

Funder

Investigator Award

Ministry of Science and Technology, Taiwan

National Taiwan University

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5140243

Reference73 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Density functional theory: Its origins, rise to prominence, and future

4. Perspective: Fifty years of density-functional theory in chemical physics

5. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

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4. Static Electron Correlation in Anharmonic Molecular Vibrations: A Hybrid TAO-DFT Study;The Journal of Physical Chemistry A;2022-09-27

5. Reformulation of thermally assisted-occupation density functional theory in the Kohn–Sham framework;The Journal of Chemical Physics;2022-05-03

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