Research Data for: Rationalising exciton interactions in aggregates based on the transition density

Research data underlying the manuscript "Rationalising exciton interactions in aggregates based on the transition density" by Joshua Krieger and Felix Plasser.Content (names of folders and files are given in bold face):<b>anth_dimer</b>: computations on anthracene dimer for <b>x</b> and <b>y</b> displacement.<b>PDI_grid</b>: computations on 2-dimensional grid for PDIThe folders contain:<b>qchem.[in/out]</b> - input/output of Q-Chem<b>coord.qcin</b> - molecular geometry<br>