Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation-Reference-Cited by-同舟云学术

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Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation

Published:2021-09-14 Issue:10 Volume:155 Page:100901
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Shepard Christopher¹^ORCID,Zhou Ruiyi¹,Yost Dillon C.²,Yao Yi¹³,Kanai Yosuke¹^ORCID

Affiliation:

1. Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27514, USA

2. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02142, USA

3. Thomas Lord Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA

Funder

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0057587

Reference166 articles.

1. Mean-Field Approximation top+ He Scattering

2. The multi-configurational time-dependent Hartree approach

3. Real-Time Time-Dependent Electronic Structure Theory

4. Time-dependent local-density approximation in real time

5. Density-Functional Theory for Time-Dependent Systems

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