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Emulating optical cycling centers in polyatomic molecules. / Li, Ming; Kłos, Jacek; Petrov, Alexander; Kotochigova, Svetlana.

In: Communications Physics, Vol. 2, No. 1, 148, 01.12.2019.

Research output: Contribution to journal › Article › peer-review

Harvard

Li, M, Kłos, J, Petrov, A & Kotochigova, S 2019, 'Emulating optical cycling centers in polyatomic molecules', Communications Physics, vol. 2, no. 1, 148. https://doi.org/10.1038/s42005-019-0245-2

APA

Li, M., Kłos, J., Petrov, A., & Kotochigova, S. (2019). Emulating optical cycling centers in polyatomic molecules. Communications Physics, 2(1), [148]. https://doi.org/10.1038/s42005-019-0245-2

Vancouver

Li M, Kłos J, Petrov A, Kotochigova S. Emulating optical cycling centers in polyatomic molecules. Communications Physics. 2019 Dec 1;2(1). 148. https://doi.org/10.1038/s42005-019-0245-2

Author

Li, Ming ; Kłos, Jacek ; Petrov, Alexander ; Kotochigova, Svetlana. / Emulating optical cycling centers in polyatomic molecules. In: Communications Physics. 2019 ; Vol. 2, No. 1.

BibTeX

@article{b50ced2ffb184252956a7149cf2fbc21,
title = "Emulating optical cycling centers in polyatomic molecules",
abstract = "An optical cycling center (OCC) is a recently coined term to indicate two electronic states within a complex quantum object that can repeatedly experience optical laser excitation and spontaneous decay, while being well isolated from its environment. Here we present a quantitative understanding of electronic, vibrational, and rotational excitations of the polyatomic SrOH molecule, which possesses a localized OCC near its Sr atom. In particular, we describe the vibrationally dependent trends in the Franck–Condon factors of the bending and stretching modes of the molecular electronic states coupled in the optical transition. These simulations required us to perform electronic structure calculations of the multi-dimensional potential energy surfaces of both ground and excited states, the determination of vibrational and bending modes, and corresponding Franck–Condon factors. We also discuss the extent to which the optical cycling center has diagonal Franck–Condon factors.",
author = "Ming Li and Jacek K{\l}os and Alexander Petrov and Svetlana Kotochigova",
year = "2019",
month = dec,
day = "1",
doi = "10.1038/s42005-019-0245-2",
language = "English",
volume = "2",
journal = "Communications Physics",
issn = "2399-3650",
publisher = "Springer Nature",
number = "1",

}

RIS

TY - JOUR

T1 - Emulating optical cycling centers in polyatomic molecules

AU - Li, Ming

AU - Kłos, Jacek

AU - Petrov, Alexander

AU - Kotochigova, Svetlana

PY - 2019/12/1

Y1 - 2019/12/1

N2 - An optical cycling center (OCC) is a recently coined term to indicate two electronic states within a complex quantum object that can repeatedly experience optical laser excitation and spontaneous decay, while being well isolated from its environment. Here we present a quantitative understanding of electronic, vibrational, and rotational excitations of the polyatomic SrOH molecule, which possesses a localized OCC near its Sr atom. In particular, we describe the vibrationally dependent trends in the Franck–Condon factors of the bending and stretching modes of the molecular electronic states coupled in the optical transition. These simulations required us to perform electronic structure calculations of the multi-dimensional potential energy surfaces of both ground and excited states, the determination of vibrational and bending modes, and corresponding Franck–Condon factors. We also discuss the extent to which the optical cycling center has diagonal Franck–Condon factors.

AB - An optical cycling center (OCC) is a recently coined term to indicate two electronic states within a complex quantum object that can repeatedly experience optical laser excitation and spontaneous decay, while being well isolated from its environment. Here we present a quantitative understanding of electronic, vibrational, and rotational excitations of the polyatomic SrOH molecule, which possesses a localized OCC near its Sr atom. In particular, we describe the vibrationally dependent trends in the Franck–Condon factors of the bending and stretching modes of the molecular electronic states coupled in the optical transition. These simulations required us to perform electronic structure calculations of the multi-dimensional potential energy surfaces of both ground and excited states, the determination of vibrational and bending modes, and corresponding Franck–Condon factors. We also discuss the extent to which the optical cycling center has diagonal Franck–Condon factors.

UR - http://www.scopus.com/inward/record.url?scp=85075597551&partnerID=8YFLogxK

U2 - 10.1038/s42005-019-0245-2

DO - 10.1038/s42005-019-0245-2

M3 - Article

AN - SCOPUS:85075597551

VL - 2

JO - Communications Physics

JF - Communications Physics

SN - 2399-3650

IS - 1

M1 - 148

ER -

ID: 50755149