Multimode vibronic spectra of the Holstein molecular crystal model
Vibronic spectra of the Holstein model for molecular crystals are investigated using the dynamical mean field theory with the additional aid of the multi-mode Brownian oscillator model. The effects of temperature, intermolecular transfer integral, damping constant and quadratic coupling on the vibro...
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sg-ntu-dr.10356-903912023-07-14T15:49:50Z Multimode vibronic spectra of the Holstein molecular crystal model Liu, Qingmei Ye, Jun Zhao, Yang School of Materials Science & Engineering DRNTU::Science::Physics::Atomic physics::Properties of matter and antimatter Vibronic spectra of the Holstein model for molecular crystals are investigated using the dynamical mean field theory with the additional aid of the multi-mode Brownian oscillator model. The effects of temperature, intermolecular transfer integral, damping constant and quadratic coupling on the vibronic spectra are examined, and spectra in the presence of two phonon modes are studied in detail. Results from the dynamical mean field theory are corroborated by those from the multi-mode Brownian oscillator model. Strength and weakness of the two approaches are discussed to point out the corresponding regimes of application for each. Published version 2011-03-03T08:19:06Z 2019-12-06T17:46:58Z 2011-03-03T08:19:06Z 2019-12-06T17:46:58Z 2010 2010 Journal Article Liu, Q., Ye, J., & Zhao, Y. (2010). Multimode Vibronic Spectra of the Holstein Molecular Crystal Model, Physical Chemistry Chemical Physics, (12), 6045-6053. https://hdl.handle.net/10356/90391 http://hdl.handle.net/10220/6736 10.1039/B925286J en Physical chemistry chemical physics © 2010 Royal Society of Chemistry. This paper was published in Physical Chemistry Chemical Physics and is made available as an electronic reprint (preprint) with permission of Royal Society of Chemistry. The paper can be found at: [Doi: http://dx.doi.org/10.1039/B925286J]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law. 9 p. application/pdf |
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DRNTU::Science::Physics::Atomic physics::Properties of matter and antimatter Liu, Qingmei Ye, Jun Zhao, Yang Multimode vibronic spectra of the Holstein molecular crystal model |
| description |
Vibronic spectra of the Holstein model for molecular crystals are investigated using the dynamical mean field theory with the additional aid of the multi-mode Brownian oscillator model. The effects of temperature, intermolecular transfer integral, damping constant and quadratic coupling on the vibronic spectra are examined, and spectra in the presence of two phonon modes are studied in detail. Results from the dynamical mean field theory are corroborated by those from the multi-mode Brownian oscillator model. Strength and weakness of the two approaches are discussed to point out the corresponding regimes of application for each. |
| author2 |
School of Materials Science & Engineering |
| author_facet |
School of Materials Science & Engineering Liu, Qingmei Ye, Jun Zhao, Yang |
| format |
Article |
| author |
Liu, Qingmei Ye, Jun Zhao, Yang |
| author_sort |
Liu, Qingmei |
| title |
Multimode vibronic spectra of the Holstein molecular crystal model |
| title_short |
Multimode vibronic spectra of the Holstein molecular crystal model |
| title_full |
Multimode vibronic spectra of the Holstein molecular crystal model |
| title_fullStr |
Multimode vibronic spectra of the Holstein molecular crystal model |
| title_full_unstemmed |
Multimode vibronic spectra of the Holstein molecular crystal model |
| title_sort |
multimode vibronic spectra of the holstein molecular crystal model |
| publishDate |
2011 |
| url |
https://hdl.handle.net/10356/90391 http://hdl.handle.net/10220/6736 |
| _version_ |
1772826111872335872 |