Related Experiment Video
Updated: May 4, 2026

Controlled Synthesis and Fluorescence Tracking of Highly Uniform PolyN-isopropylacrylamide Microgels
Published on: September 8, 2016
Formally exact fluorescence spectroscopy simulations for mesoscale molecular aggregates with N0 scaling
Tarun Gera1, Alexia Hartzell1, Lipeng Chen2
1Department of Chemistry, University of Texas at Austin, Austin, Texas 78712, USA.
None:
We present a size-invariant (i.e., N0) scaling algorithm for simulating fluorescence spectroscopy in large molecular aggregates. We combine the dyadic adaptive hierarchy of pure states (DadHOPS) equation-of-motion with an operator decomposition scheme and an efficient Monte Carlo sampling algorithm to enable a formally exact, local description of the fluorescence spectrum in large molecular aggregates. Furthermore, we demonstrate that the ensemble average inverse participation ratio of DadHOPS wave functions reproduces the delocalization extent extracted from fluorescence spectroscopy of J-aggregates with strong vibronic transitions. This work provides a computationally efficient framework for fluorescence simulations, offering a new tool for understanding the optical properties of mesoscale molecular systems.
More Related Videos
12:58Characterizing Individual Protein Aggregates by Infrared Nanospectroscopy and Atomic Force Microscopy
Published on: September 12, 2019
08:04Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Related Concept Videos
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR
¹³C NMR: ¹H–¹³C Decoupling
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
Mass Spectrum: Interpretation