Fast Real-Time Time-Dependent Density Functional Theory Calculations with the Parallel Transport Gauge-Reference-Cited by-同舟云学术

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Fast Real-Time Time-Dependent Density Functional Theory Calculations with the Parallel Transport Gauge

Published:2018-10-23 Issue:11 Volume:14 Page:5645-5652
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jia Weile¹^ORCID,An Dong¹,Wang Lin-Wang²,Lin Lin¹³^ORCID

Affiliation:

1. Department of Mathematics, University of California, Berkeley, California 94720, United States

2. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

3. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Funder

Division of Mathematical Sciences

U.S. Department of Energy

Division of Advanced Cyberinfrastructure

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00580

Reference27 articles.

1. Density-Functional Theory for Time-Dependent Systems

2. Electronic excitations: density-functional versus many-body Green’s-function approaches

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

4. Time-Dependent Density-Functional Theory

5. Time-dependent density-functional theory in massively parallel computer architectures: the octopus project

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1. Magneto-optical properties of a quantum dot array interacting with a far-infrared photon mode of a cylindrical cavity;Physical Review B;2024-06-26

2. Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics;Journal of the American Chemical Society;2024-02-16

3. Relativistic Real-Time Methods;Comprehensive Computational Chemistry;2024

4. Controlling the excitation spectrum of a quantum dot array with a photon cavity;Physical Review B;2023-09-13

5. Quantum simulation of exact electron dynamics can be more efficient than classical mean-field methods;Nature Communications;2023-07-10

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