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| Main Authors: | , , , , , |
|---|---|
| Format: | Recurso digital |
| Language: | |
| Published: |
Zenodo
2025
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| Online Access: | https://doi.org/10.5281/zenodo.17979637 |
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Table of Contents:
- <p>Each folder contains a notebook that computes and plots the data shown in the corresponding figure of the paper (as indicated by the folder name), along with the HEOM and VB-OPA spectra provided as <code>.dat</code> text files.</p> <p> </p> <p><strong>Other files</strong></p> <ul> <li><code><strong>SD_10_vib_parameters.dat</strong></code><br>Contains the parameters of the WSCP-10 spectral density model. <ul> <li>First column: frequencies</li> <li>Second column: Huang–Rhys factors (×1000)<br>A copy of this file is present in all folders except <code>fig_3/</code>.</li> </ul> </li> <li><code><strong>fig_2c_2d/dmHEOM_input.cfg</strong></code><br>Input file for dmHEOM simulations used to reproduce the data in <code>spectrum_HEOM_1_vib.dat</code>.</li> <li><code><strong>fig_3/SD_wscp10star_parameters.dat</strong></code><br>Contains the parameters of the WSCP-10* spectral density model. <ul> <li>First column: frequencies</li> <li>Second column: reorganization energies (cm⁻¹)</li> </ul> </li> <li><code><strong>fig_3/hamiltonians_15_frames_FWHM_170.npy</strong></code><br>WSCP Hamiltonians including static disorder. The disorder is generated by applying 15 random energy shifts per site, drawn from a Gaussian distribution with FWHM = 170 cm⁻¹.</li> <li><code><strong>fig_3/exp/</strong></code><br>Experimental spectra (from the original reference), together with a notebook that performs smoothing of the experimental data.</li> <li><code><strong>fig_4/Ham_CP29_cm_-1.dat</strong></code><br>Average Hamiltonian of CP29.</li> <li><code><strong>fig_4/dipoles_CP29_debye.dat</strong></code><br>Average transition dipole moments of CP29.</li> <li><code><strong>fig_8/eq_rho_exc_HEOM.npy</strong></code><br>Equilibrium density matrix in the exciton basis calculated using HEOM. This file is used to compute the fluorescence spectrum via the Hybrid Cumulant Expansion approach.</li> </ul>