Methods to Calculate Electronic Excited-State Dynamics for Molecules on Large Metal Clusters with Many States: Ensuring Fast Overlap Calculations and a Robust Choice of Phase-Reference-Cited by-同舟云学术

Methods to Calculate Electronic Excited-State Dynamics for Molecules on Large Metal Clusters with Many States: Ensuring Fast Overlap Calculations and a Robust Choice of Phase

Published:2022-05-24 Issue:6 Volume:18 Page:3296-3307
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Chen Hsing-Ta¹^ORCID,Chen Junhan¹^ORCID,Cofer-Shabica D. Vale¹,Zhou Zeyu¹,Athavale Vishikh¹^ORCID,Medders Gregory¹^ORCID,Menger Maximilian F. S. J.²^ORCID,Subotnik Joseph E.¹,Jin Zuxin³^ORCID

Affiliation:

1. Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104, United States

2. Zernike Institute for Advanced Materials, Faculty of Science and Engineering, University of Groningen, Nijenborgh 4, Groningen 9747AG, The Netherlands

3. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01304

Reference40 articles.

1. Photoreduction at a Distance: Facile, Nonlocal Photoreduction of Ag Ions in Solution by Plasmon-Mediated Photoemitted Electrons

2. Evidence and implications of direct charge excitation as the dominant mechanism in plasmon-mediated photocatalysis