Related Experiment Video
Updated: Jun 16, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Tensor-Train Format Hierarchical Equations of Motion Formalism: Charge Transfer in Organic Semiconductors via
Hideaki Takahashi1, Raffaele Borrelli1
1DISAFA, University of Torino, Grugliasco I10095, Italy.
Abstract:
Hierarchical Equations of Motion (HEOM) in the Tensor-Train (TT) representation is applied to study the charge-transfer dynamics in organic semiconductors (OSCs). The theoretical formulation as well as the basic computational aspects of HEOM-TT are discussed in detail. Charge transfer in OSCs is modeled using dissipative polaronic models that incorporate the effects of both high- and low-frequency molecular vibrations, and it is simulated in a fully quantum and nonperturbative manner, which has not been studied intensively. The capability of treating complex electron-vibrational systems is examined by analyzing and comparing the numerical behavior of the time-dependent variational approach and the time-Alternating Minimal Energy methods and by calculating the current autocorrelation function and diffusivity across various models. Our results indicate that the HEOM-TT framework offers a robust tool for the detailed analysis of complex polaronic systems, suggesting its potential for broader applications.
More Related Videos
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
10:44Translating Extracellular Electron Transfer Activities with Organic Electrochemical Transistors
Published on: January 31, 2025
Related Concept Videos
Carrier Transport
Drift Current:
The drift of charge carriers is started by an external electric field (E). Charged particles, such as electrons and holes, experience an acceleration between collisions with lattice atoms. For electrons, this results in a drift velocity (vd) given by:
Linear Approximation in Frequency Domain
In contrast, nonlinear systems do not inherently possess these properties. However, for small deviations around an operating point, a nonlinear system can often be approximated as linear....
Charge on a Conductor
Differential Form of Maxwell's Equations
Transmission-Line Differential Equations
Line Section Model
A circuit representing a line section of length Δx helps in understanding the transmission line parameters. The voltage V(x) and current i(x) are measured...
Electrostatic Boundary Conditions
The surface integral of an electric field is given by Gauss's law in integral form and is related to...