【3/12開催】AIMRスペシャルセミナー

2013年03月04日

AIMRスペシャルセミナーが3月12日(火)にAIMR本館セミナー室で開催されます。

タイトル

Quantum dynamics of ultrafast energy and charge transport in extended systems

講演者

Irene Burghardt (独ゲーテ大学)

日時

3月12日(火)、14:00 - 15:00

場所

AIMR本館2階 セミナー室

講演要旨

Due to the complex interplay of site-site interactions and on-site vibronic coupling and trapping effects, often accompanied by coherent transients on ultrafast time scales, the photophysics of extended molecular systems requires an explicit quantum dynamical treatment in many dimensions. We present an approach that combines parametrized Hamiltonians, based on semiempirical or ab initio calculations, with accurate quantum dynamics simulations using the multiconfiguration time-dependent Hartree (MCTDH) method. As a key ingredient, spectral densities are determined from vibronic-coupling distributions or MD-generated correlation functions, and are subsequently mapped on a linear chain effective-mode representation. Applications are presented for ultrafast exciton dissociation at an oligothiophene-fullerene (P3HT:PCBM type) junction [2], and excitation energy transfer driven by torsional dynamics in poly-phenylene-vinylene (PPV) type systems [3].

  • R. Martinazzo, B. Vacchini, K. H. Hughes, I. Burghardt, J. Chem. Phys. 134, 011101 (2011), R. Martinazzo, K. H. Hughes, I. Burghardt, Phys. Rev. E 84, 030102(R) (2011).
  • H. Tamura, I. Burghardt, M. Tsukada, J. Phys. Chem. C 115, 9237 (2011), H. Tamura, R. Martinazzo, M. Ruckenbauer, I. Burghardt, J. Chem. Phys., in press (2012).
  • F. Sterpone, R. Martinazzo, A. N. Panda, and I. Burghardt, Z. Phys. Chem. 225, 541 (2011).

お問い合わせ先

田村 宏之
東北大学原子分子材料科学高等研究機構(AIMR)

住所: 仙台市青葉区片平2-1-1
E-MAIL : hiroyuki@wpi-aimr.tohoku.ac.jp