Hans Lischka was born in Vienna, in 1943, and studied chemistry at the University of Vienna, where he earned a Ph.D. in 1969, being supervised by Gerhard Derflinger. He was a postdoc with Werner Kutzelnigg at the University of Karlsruhe in 1972-1973 and got his habilitation in theoretical chemistry in 1976.[4]
In 1980, he was a visiting professor with Isaiah Shavitt at the Ohio State University, where he started the development of a set of codes for multireference calculations in collaboration with Ron Shepard, Frank Brown, and Russel Pitzer. This set of programs later became the Columbus system.[5] Hans Lischka became a professor of theoretical chemistry at the University of Vienna also in 1980.[4]
2008 International Symposium on “Electron Correlation and Molecular Dynamics for Excited States and Photochemistry”, International Symposium in honor of Hans Lischka's 65th birthday, July 4, 2008
Scientific contributions, interests and production
Hans Lischka has published over 500 scientific papers, which have been cited more than 24,000 times with h-index=80, according to Google Scholar.[7]
Lischka has pioneered the development and implementation of highly parallelized MRCI, with analytical energy gradients[8] and analytical nonadiabatic couplings.[9] These methods were later fundamental for the implementation of the Newton-X program.[10] In 2010, Lischka's group published the first ab initio mapping of the deactivation mechanism of UV-excited canonical nucleobases.[11]
His current research interests include method developments in multireference theory[12] and computational photodynamics.[13] His work is also concerned with applications of computational chemistry to graphene defects,[14] polyradicloid systems,[15] organic photovoltaics,[16] interacting nucleobases,[17] and non-covalent interactions.[18]
Academic management activities
1992 – 1996 Director of the Institute for Theoretical Chemistry and Radiation Chemistry of University of Vienna
1993 – 1995 Head of the section Vienna, Lower Austria and Burgenland of the Austrian Chemical Society
2000 – 2004 Vice director of the Institute for Theoretical Chemistry and Structural Biology
^Lischka, Hans; Müller, Thomas; Szalay, Péter G.; Shavitt, Isaiah; Pitzer, Russell M.; Shepard, Ron (March 2011). "Columbus-a program system for advanced multireference theory calculations". Wiley Interdisciplinary Reviews: Computational Molecular Science. 1 (2): 191–199. doi:10.1002/wcms.25. S2CID95898474.
^Shepard, Ron; Shavitt, Isaiah; Pitzer, Russell M.; Comeau, Donald C.; Pepper, Melanie; Lischka, Hans; Szalay, Peter G.; Ahlrichs, Reinhart; Brown, Franklin B.; Zhao, Jian-Guo (12 March 1988). "A progress report on the status of the COLUMBUSMRCI program system". International Journal of Quantum Chemistry. 34 (S22): 149–165. doi:10.1002/qua.560340819.
^LISCHKA, H.; DALLOS, M.; SHEPARD, R. (10 June 2002). "Analytic MRCI gradient for excited states: formalism and application to the n-π∗ valence- and n-(3s,3p) Rydberg states of formaldehyde". Molecular Physics. 100 (11): 1647–1658. Bibcode:2002MolPh.100.1647L. doi:10.1080/00268970210155121. S2CID97307361.
^Lischka, Hans; Dallos, Michal; Szalay, Péter G.; Yarkony, David R.; Shepard, Ron (22 April 2004). "Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism". The Journal of Chemical Physics. 120 (16): 7322–7329. Bibcode:2004JChPh.120.7322L. doi:10.1063/1.1668615. PMID15267642. S2CID21157929.
^Barbatti, Mario; Granucci, Giovanni; Persico, Maurizio; Ruckenbauer, Matthias; Vazdar, Mario; Eckert-Maksić, Mirjana; Lischka, Hans (August 2007). "The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems". Journal of Photochemistry and Photobiology A: Chemistry. 190 (2–3): 228–240. doi:10.1016/j.jphotochem.2006.12.008.
^Borges, Itamar; Aquino, Adélia J. A.; Köhn, Andreas; Nieman, Reed; Hase, William L.; Chen, Lin X.; Lischka, Hans (25 November 2013). "Modeling of Excitonic and Charge-Transfer States in Organic Semiconductors: The PTB1/PCBM Low Band Gap System". Journal of the American Chemical Society. 135 (49): 18252–18255. doi:10.1021/ja4081925. PMID24215627.
