PAHAP : Polycyclic Aromatic Hydrocarbon (PAH) anisotropic potential

Important

If you use this potential or any part of it please cite:

"A First Principles Development of a General Anisotropic Potential for Polycyclic Aromatic Hydrocarbons", Tim S. Totton, Alston J. Misquitta, Markus Kraft, Journal of Chemical Theory and Computation, vol. 6, 683-695 (2010).