H. Goossens, S. Catak, F. De Proft, P. Geerlings, M. Waroquier, V. Van Speybroeck p. 44PosterConference / event / venue 14th International Conference on the Applications of Density Functional Theory in Chemistry and PhysicsAthens, GreeceMonday, 29 August, 2011 to Friday, 2 September, 2011