choudarykvsp/xtp

Extension library for internal quantum-chemical calculations, provides GW-BSE modules and support for exciton dynamics.

Further information on VOTCA can be found at
http://www.votca.org

The development of VOTCA is mainly funded by academic research grants.
If you use this package, please cite the VOTCA papers:

* Microscopic simulations of charge transport in disordered organic semiconductors
  V. Ruehle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier and D. Andrienko
  J. Chem. Theo. Comp. 7, 3335-3345 (2011) 

* Versatile Object-oriented Toolkit for Coarse-graining Applications,
  V.Ruehle, C. Junghans, A. Lukyanov, K. Kremer, D. Andrienko,
  J. Chem. Theo. Comp. 5 (12), 3211 (2009) 

In case of questions, please post them in the google discussion group
for votca at http://groups.google.com/group/votca-xtp

You can contact the VOTCA Development Team at devs@votca.org.