Parallelization Strategy for Large-Scale Vibronic Coupling Calculations-Reference-Cited by-同舟云学术

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Parallelization Strategy for Large-Scale Vibronic Coupling Calculations

Published:2014-11-03 Issue:51 Volume:118 Page:12059-12068
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Rabidoux Scott M.¹,Eijkhout Victor²,Stanton John F.³

Affiliation:

1. Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712, United States

2. Texas Advanced Computing Center, Austin, Texas 78758, United States

3. Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, United States

Funder

Office of Cyberinfrastructure

Division of Chemistry

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp507880q

Reference21 articles.

1. An efficient approach for the calculation of Franck–Condon integrals of large molecules

2. Algorithms for exact counting of energy levels of spectroscopic transitions at different temperatures

3. Naphthyl Radical: Negative Ion Photoelectron Spectroscopy, Franck−Condon Simulation, and Thermochemistry

4. Mozhayskiy, V.; Krylov, A.ezSpectrum.http://iopenshell.usc.edu/downloads.

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. Molecules with Spin and Vibronic Coupling Effects: A Computational Perspective;Journal of Physics: Conference Series;2024-05-01

2. First-principles interpretation of electron transport through single-molecule junctions using molecular dynamics of electron attached states;Molecular Physics;2021-11-08

3. Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2021-06

4. Jahn–Teller and Pseudo-Jahn–Teller Effects: From Particular Features to General Tools in Exploring Molecular and Solid State Properties;Chemical Reviews;2020-12-22

5. Nonadiabatic Investigation of the Electronic Spectroscopy of trans-1,3-Butadiene;The Journal of Physical Chemistry A;2019-03-22

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