Dataset for the publication "Evaluation of approximate lineshape theories for photosynthetic light-harvesting antennae"

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 .dat text files. Other files SD_10_vib_parameters.datContains the parameters of the WSCP-10 spectral density model. First column: frequencies Second column: Huang–Rhys factors (×1000)A copy of this file is present in all folders except fig_3/. fig_2c_2d/dmHEOM_input.cfgInput file for dmHEOM simulations used to reproduce the data in spectrum_HEOM_1_vib.dat. fig_3/SD_wscp10star_parameters.datContains the parameters of the WSCP-10* spectral density model. First column: frequencies Second column: reorganization energies (cm⁻¹) fig_3/hamiltonians_15_frames_FWHM_170.npyWSCP 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. fig_3/exp/Experimental spectra (from the original reference), together with a notebook that performs smoothing of the experimental data. fig_4/Ham_CP29_cm_-1.datAverage Hamiltonian of CP29. fig_4/dipoles_CP29_debye.datAverage transition dipole moments of CP29. fig_8/eq_rho_exc_HEOM.npyEquilibrium density matrix in the exciton basis calculated using HEOM. This file is used to compute the fluorescence spectrum via the Hybrid Cumulant Expansion approach.