Real-Time Equation-of-Motion Coupled-Cluster Cumulant Green’s Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-Body Methods Infrastructure-Reference-Cited by-同舟云学术

Real-Time Equation-of-Motion Coupled-Cluster Cumulant Green’s Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-Body Methods Infrastructure

Published:2023-04-05 Issue:8 Volume:19 Page:2248-2257
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Pathak Himadri¹,Panyala Ajay¹,Peng Bo²^ORCID,Bauman Nicholas P.²,Mutlu Erdal¹,Rehr John J.³^ORCID,Vila Fernando D.³^ORCID,Kowalski Karol²^ORCID

Affiliation:

1. Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States

2. Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States

3. Department of Physics, University of Washington, Seattle, Washington 98195, United States

Funder

Laboratory Directed Research and Development

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00045

Reference96 articles.

1. Spatial and temporal exploration of heterogeneous catalysts with synchrotron radiation

2. Synchrotron-radiation spectroscopic identification towards diverse local environments of single-atom catalysts

3. Time-resolved radiation chemistry: femtosecond photoelectron spectroscopy of electron attachment and photodissociation dynamics in iodide–nucleobase clusters

4. The quantitative analysis of surfaces by XPS: A review

5. The interpretation of XPS spectra: Insights into materials properties

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