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DIALECT program package

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DIALECT

The DIALECT(DIAbatic Locally Excited and Charge-Transfer states) software was designed to calculate the electronically excited states of large molecular systems. It is developed in the group of Prof. Dr. Roland Mitrić at the University of Würzburg.

Documentation

A short guide, which explains the installation and use of our program is available here.

Citation

Richard Einsele, Joscha Hoche, and Roland Mitrić, Long-range corrected fragment molecular orbital density functional tight-binding method for excited states in large molecular systems, J. Chem. Phys., 2023, 158, 044121, https://doi.org/10.1063/5.0136844

License

DIALECT is released under the GNU Lesser General Public License. For more information, see the included LICENSE file.