Hans Lischka

The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems

Mario Barbatti, Giovanni Granucci, Maurizio Persico et al. · Journal of Photochemistry and Photobiology A Chemistry · 2006 · 496 citations

Engineering, Physics, Natural Sciences +8

Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations

Felix Plasser, Hans Lischka · Journal of Chemical Theory and Computation · 2012 · 495 citations

Localized Excited State, Engineering, Excitation Energy Transfer +19

Newton‐<scp>X</scp>: a surface‐hopping program for nonadiabatic molecular dynamics

Mario Barbatti, Matthias Ruckenbauer, Felix Plasser et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 493 citations · Full text

Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

Mario Barbatti, Adélia J. A. Aquino, Jarosław J. Szymczak et al. · Proceedings of the National Academy of Sciences · 2010 · 441 citations · Full text

High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin–orbit CI and parallel CI density

Hans Lischka, Ron Shepard, Russell M. Pitzer et al. · Physical Chemistry Chemical Physics · 2001 · 429 citations

Engineering, Spin Systems, Magnetic Resonance +20