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Title: Excited-state electronic coherence in vinyl bromide ions

Abstract

We have performed time-dependent density functional theory calculations on the molecule vinyl bromide under ionization by a laser and have found long-lived coherent oscillations in the electron density created by a superposition of orbitals. The superposition of the molecular orbitals is quite pronounced for some intensities and is compared to varied alignments and strengths of the exciting laser. The coherence between the orbitals is also shown to be strongly dependent upon atomic motion.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [3]; ORCiD logo [4]
+ Show Author Affiliations
  1. Vanderbilt Univ., Nashville, TN (United States); Xi'an Technological Univ., Xi'an, Shaanxi (China)
  2. Vanderbilt Univ., Nashville, TN (United States); Austin Peay State University, Clarksville, TN (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
  4. Vanderbilt Univ., Nashville, TN (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC); Shaanxi Education Department, China
OSTI Identifier:
1633249
Grant/Contract Number:  
AC02-05CH11231; 16JK1384
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review A
Additional Journal Information:
Journal Volume: 100; Journal Issue: 5; Journal ID: ISSN 2469-9926
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

Du, Hongbo, Covington, Cody, Leone, Stephen R., and Varga, Kálmán. Excited-state electronic coherence in vinyl bromide ions. United States: N. p., 2019. Web. doi:10.1103/physreva.100.053412.
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Du, Hongbo, Covington, Cody, Leone, Stephen R., & Varga, Kálmán. Excited-state electronic coherence in vinyl bromide ions. United States. https://doi.org/10.1103/physreva.100.053412
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Du, Hongbo, Covington, Cody, Leone, Stephen R., and Varga, Kálmán. Wed . "Excited-state electronic coherence in vinyl bromide ions". United States. https://doi.org/10.1103/physreva.100.053412. https://www.osti.gov/servlets/purl/1633249.
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@article{osti_1633249,
title = {Excited-state electronic coherence in vinyl bromide ions},
author = {Du, Hongbo and Covington, Cody and Leone, Stephen R. and Varga, Kálmán},
abstractNote = {We have performed time-dependent density functional theory calculations on the molecule vinyl bromide under ionization by a laser and have found long-lived coherent oscillations in the electron density created by a superposition of orbitals. The superposition of the molecular orbitals is quite pronounced for some intensities and is compared to varied alignments and strengths of the exciting laser. The coherence between the orbitals is also shown to be strongly dependent upon atomic motion.},
doi = {10.1103/physreva.100.053412},
journal = {Physical Review A},
number = 5,
volume = 100,
place = {United States},
year = {Wed Nov 20 00:00:00 EST 2019},
month = {Wed Nov 20 00:00:00 EST 2019}
}
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Journal Article:
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https://doi.org/10.1103/physreva.100.053412
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