Implementation of real‐time <scp>TDDFT</scp> for periodic systems in the open‐source <scp>PySCF</scp> software package-Reference-Cited by-同舟云学术

Implementation of real‐time TDDFT for periodic systems in the open‐source PySCF software package

Published:2022-12-23 Issue:9 Volume:44 Page:980-987
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Hanasaki Kota¹,Ali Zulfikhar A.¹,Choi Min¹,Del Ben Mauro²,Wong Bryan M.¹^ORCID

Affiliation:

1. Department of Chemical & Environmental Engineering, Materials Science & Engineering Program, Department of Chemistry, and Department of Physics & Astronomy University of California‐Riverside Riverside California USA

2. Applied Mathematics & Computational Research Division Lawrence Berkeley National Laboratory Berkeley California USA

Funder

U.S. Department of Energy

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27058

Reference49 articles.

1. Laser-Induced Demagnetization at Ultrashort Time Scales: Predictions of TDDFT

2. Ultrafast charge ordering by self-amplified exciton–phonon dynamics in TiSe2

3. Surface-Plasmon-Driven Hot Electron Photochemistry

4. UV-LED photocatalytic oxidation of carbon monoxide over TiO2 supported with noble metal nanoparticles

5. Fundamentals of TiO 2 Photocatalysis: Concepts, Mechanisms, and Challenges

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Efficient exact exchange using Wannier functions and other related developments in planewave-pseudopotential implementation of RT-TDDFT;The Journal of Chemical Physics;2024-07-10

2. Science Mapping Analysis of Density Functional Theory (DFT) for Material Design: A Review;JOM;2024-05-30

3. Cost-Effective Methodology for Complex Tuning Searches in HPC: Navigating Interdependencies and Dimensionality;2024 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW);2024-05-27

4. FT-BLAS: A Fault Tolerant High Performance BLAS Implementation on x86 CPUs;IEEE Transactions on Parallel and Distributed Systems;2023-12

5. Velocity-Gauge Real-Time Time-Dependent Density Functional Tight-Binding for Large-Scale Condensed Matter Systems;Journal of Chemical Theory and Computation;2023-11-13