@inproceedings{Zalesny_Krawczyk_Bartkowiak_Papadopoulos_2009, title={Electronic and Vibrational Contributions to Hyperpolarizabilities of Medium-Size Organic Molecules}, volume={1148}, ISBN={ISBN: 978-0-7354-0685-8}, ISSN={0094-243X}, archiveLocation={Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο}, url={https://hdl.handle.net/10442/12441}, abstractNote={It is well recognized that both electron correlation as well as vibrational corrections may be important for reliable prediction of molecular (hyper)polarizabilities. Here, we report on several cases of medium-size organic molecules for which both factors are not by any means negligible. Moreover, we also present a preliminary assessment of a recently proposed long-range corrected LC-BLYP functional for determination of vibrational contributions to first and second hyperpolarizability.}, booktitle={Computational Methods in Science and Engineering, Vol 2: Advances in Computational Science}, publisher={Springer New York LLC}, author={Zalesny, R. and Krawczyk, P. and Bartkowiak, W. and Papadopoulos, Manthos G.}, editor={Simos, TE and Maroulis, GEditors}, year={2009}, pages={721–724} }