Published January 2016
| Version v1
Journal article
A mixed quantum-classical description of pheophorbide a linear absorption spectra: Quantum-corrections of the Q y - and Q x -absorption vibrational satellites
- 1. Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Straße 24-25, D-14476 Potsdam, Federal Republic of (Germany)
- 2. Institut Lumière Matière, UMR5306 Université Claude Bernard Lyon 1-CNRS, Université de Lyon, 69622 Villeurbanne Cedex (France)
- 3. Institut für Physik, Humboldt-Universität zu Berlin, Newtonstraße 15, D-12489 Berlin, Federal Republic of (Germany)
Description
The ground-state classical path approximation is utilized to compute molecular absorption spectra in a mixed quantum-classical frame. To improve the description for high-frequency vibrational satellites, related quantum correction factors are introduced. The improved method is demonstrated for the Qy- and Qx-bands of pheophorbide a.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.cplett.2015.11.016Additional details
Identifiers
- DOI
- 10.1016/j.cplett.2015.11.016;
- PII
- S0009261415008672;
Publishing Information
- Journal Title
- Chemical Physics Letters
- Journal Volume
- 643
- Journal Page Range
- p. 61-65
- ISSN
- 0009-2614
- CODEN
- CHPLBC
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 51123609
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ABSORPTION SPECTRA; GROUND STATES; SATELLITES
- Descriptors DEC
- ENERGY LEVELS; SPECTRA
Optional Information
- Copyright
- Copyright (c) 2015 Elsevier B.V. All rights reserved.