Published April 18, 2024 | Version 1.2.0a
Software Open

EXAT - EXcitonic Analysis Tool

Creators

  • 1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, I-56124 Pisa, Italy

Description

EXAT is Copyright (C) 2014-2017 S. Jurinovich, L. Cupellini, C.A. Guido, and B. Mennucci
Python tool to compute the excitonic properties of a multichromophoric system and to simulate absorption and circular dichroism spectra.
System Requirements:

  • python version 2.7.2, 2.7.17, 3.7.7
  • numpy version 1.9, 1.16, 1.21
  • scipy version 1.7.3 (*)
  • matplotlib version 2.2.3, 3.2.2 (*)(**)

(*) Only needed to run spectrum.py
(**) Only needed for live spectrum plotting

Note that the GUI will only work with python3

Files

Files (11.3 MB)

Name Size Download all
md5:593785cd50bcdaf58a88e952eeac0c10
11.3 MB Download

Additional details

Related works

Is supplement to
Journal article: 10.1002/jcc.25118 (DOI)

Funding

European Commission
LIFETimeS - Light-Induced Function: from Excitation to Signal through Time and Space 786714
European Commission
ENLIGHT - The interplay between quantum coherence and environment in the photosynthetic electronic energy transfer and light-harvesting: a quantum chemical picture 277755

Software

Programming language
Python