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Portrait of Tönu Pullerits; Photo: Kennet Ruona

Tönu Pullerits

Professor

Portrait of Tönu Pullerits; Photo: Kennet Ruona

Excited state properties of acceptor-substitute carotenoids: 2D and 3D real-space analysis

Author

  • Mengtao Sun
  • Pär Kjellberg
  • Fengcai Ma
  • Tönu Pullerits

Summary, in English

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.

Department/s

  • Chemical Physics

Publishing year

2005

Language

English

Pages

558-564

Publication/Series

Chemical Physics Letters

Volume

401

Issue

4-6

Document type

Journal article

Publisher

Elsevier

Topic

  • Atom and Molecular Physics and Optics

Status

Published

ISBN/ISSN/Other

  • ISSN: 0009-2614