Excited state properties of acceptor-substitute carotenoids: 2D and 3D real-space analysis
(2005) In Chemical Physics Letters 401(4-6). p.558-564- Abstract
- Excited state properties of three (neutral, weak and strong) acceptor-substitute carotenoids (beta-carotene) are studied theoretically with the methods of two-dimensional (2D) and three-dimensional (3D) real-space analysis. The influences of different (neutral, weak and strong) function groups attached to the polyene chain to the excited state property of the carotenoids are discussed. By the 3D real-space analysis, the charge and energy transfer of the three acceptor-substitute carotenoids after vertical absorption are studied with the transition density and charge difference density. By the 2D real-space analysis, the electron-hole coherences and excitation delocalization of the three acceptor-substitute carotenoids are studied with the... (More)
- Excited state properties of three (neutral, weak and strong) acceptor-substitute carotenoids (beta-carotene) are studied theoretically with the methods of two-dimensional (2D) and three-dimensional (3D) real-space analysis. The influences of different (neutral, weak and strong) function groups attached to the polyene chain to the excited state property of the carotenoids are discussed. By the 3D real-space analysis, the charge and energy transfer of the three acceptor-substitute carotenoids after vertical absorption are studied with the transition density and charge difference density. By the 2D real-space analysis, the electron-hole coherences and excitation delocalization of the three acceptor-substitute carotenoids are studied with the transition density matrix. (C) 2004 Elsevier B.V. All rights reserved. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/151991
- author
- Sun, Mengtao LU ; Kjellberg, Pär LU ; Ma, Fengcai and Pullerits, Tönu LU
- organization
- publishing date
- 2005
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Chemical Physics Letters
- volume
- 401
- issue
- 4-6
- pages
- 558 - 564
- publisher
- Elsevier
- external identifiers
-
- wos:000226269800043
- scopus:11144349735
- ISSN
- 0009-2614
- DOI
- 10.1016/j.cplett.2004.11.074
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)
- id
- 90516385-0ac0-493f-80d2-6ca1be52f7d0 (old id 151991)
- date added to LUP
- 2016-04-01 16:10:24
- date last changed
- 2022-03-22 08:53:45
@article{90516385-0ac0-493f-80d2-6ca1be52f7d0,
abstract = {{Excited state properties of three (neutral, weak and strong) acceptor-substitute carotenoids (beta-carotene) are studied theoretically with the methods of two-dimensional (2D) and three-dimensional (3D) real-space analysis. The influences of different (neutral, weak and strong) function groups attached to the polyene chain to the excited state property of the carotenoids are discussed. By the 3D real-space analysis, the charge and energy transfer of the three acceptor-substitute carotenoids after vertical absorption are studied with the transition density and charge difference density. By the 2D real-space analysis, the electron-hole coherences and excitation delocalization of the three acceptor-substitute carotenoids are studied with the transition density matrix. (C) 2004 Elsevier B.V. All rights reserved.}},
author = {{Sun, Mengtao and Kjellberg, Pär and Ma, Fengcai and Pullerits, Tönu}},
issn = {{0009-2614}},
language = {{eng}},
number = {{4-6}},
pages = {{558--564}},
publisher = {{Elsevier}},
series = {{Chemical Physics Letters}},
title = {{Excited state properties of acceptor-substitute carotenoids: 2D and 3D real-space analysis}},
url = {{http://dx.doi.org/10.1016/j.cplett.2004.11.074}},
doi = {{10.1016/j.cplett.2004.11.074}},
volume = {{401}},
year = {{2005}},
}