Go to content
UR Home

A New Efficient Method for Calculation of Frenkel Exciton Parameters in Molecular Aggregates

Plötz, Per-Arno, Niehaus, Thomas A. and Kühn, Oliver (2014) A New Efficient Method for Calculation of Frenkel Exciton Parameters in Molecular Aggregates. J. Chem. Phys. 140, p. 174101.

Full text not available from this repository.

Other URL: http://arxiv.org/abs/1312.6389, http://scitation.aip.org/content/aip/journal/jcp/140/17/10.1063/1.4871658


Abstract

The Frenkel exciton Hamiltonian is at the heart of many simulations of excitation energy transfer in molecular aggregates. It separates the aggregate into Coulomb-coupled monomers. Here it is shown that the respective parameters, i.e. monomeric excitation energies and Coulomb couplings between transition densities, can be efficiently calculated using time-dependent tight-binding-based density ...

plus


Export bibliographical data



Item type:Article
Date:1 May 2014
Institutions:Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Thomas Niehaus
Dewey Decimal Classification:500 Science > 500 Natural sciences & mathematics
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:29263
Owner only: item control page
  1. Homepage UR

University Library

Publication Server

Contact:

Publishing: oa@ur.de

Dissertations: dissertationen@ur.de

Research data: daten@ur.de

Contact persons