Parallel transport time-dependent density functional theory calculations with hybrid functional on summit-Reference-Cited by-同舟云学术

Parallel transport time-dependent density functional theory calculations with hybrid functional on summit

Published:2019-11-17 Issue: Volume: Page:
ISSN:
Container-title:Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis
language:
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Author:

Jia Weile¹,Wang Lin-Wang²,Lin Lin¹

Affiliation:

1. University of California

2. Lawrence Berkeley National Laboratory

Funder

U.S. Department of Energy

National Science Foundation

Publisher

ACM

Link

https://dl.acm.org/doi/pdf/10.1145/3295500.3356144

Reference47 articles.

1. Non-adiabatic effects in elementary reaction processes at metal surfaces

2. D. An and L. Lin. [n. d.]. Quantum dynamics with the parallel transport gauge. arXiv:1804.02095 ([n. d.]). D. An and L. Lin. [n. d.]. Quantum dynamics with the parallel transport gauge. arXiv:1804.02095 ([n. d.]).

3. Iterative Procedures for Nonlinear Integral Equations

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

5. Density‐functional thermochemistry. III. The role of exact exchange

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