Lukas Konecny has currently a postdoc/teaching position at the
Department of Inorganic Chemistry, Faculty of Natural Sciences, Comenius
University, Bratislava. He defended his dissertation, done under supervision of
Olga L. Malkina, in August 2017.
Lukas Konecny joined the ReSpect team after finishing his Bachelor
degree in 2011 and continued working in the team during his Master and PhD
studies. His main responsibility is the development of libraries for the
solution of the time-dependent Dirac equation. Moreover, he applies these
methods to study spectroscopic properties of heavy-element containing
molecules, with a particular interest in devising analysis tools for extracting
molecular properties from simulations.
- relativistic methods in quantum chemistry
- electron dynamics
- response theory
Konecny L., Kadek M., Komorovsky S., Malkina O. L., Ruud K., Repisky M.,
Acceleration of Relativistic Electron Dynamics by Means of X2C
Transformation: Application to the Calculation of Nonlinear Optical Properties,
J. Chem. Theory Comput. 12, 5823-5833 (2016).
Kadek, M., Konecny, L., Gao, B., Repisky, M., Ruud, K.,
X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac–Kohn–Sham density matrix,
Phys. Chem. Chem. Phys. 17, 22566-22570 (2015).
Repisky, M., Konecny, L., Kadek, M., Komorovsky, S., Malkin, O.L., Malkin, V.G., Ruud, K.,
Excitation Energies from Real-Time Propagation of the Four-Component Dirac−Kohn−Sham Equation,
J. Chem. Theory Comput. 11, 980-991 (2015).
I was a TA for General Chemistry seminar during winter terms in
2013/2014, 2014/2015, half of the term in 2015/2016 (before leaving to beyond
the Arctic circle), and 2016/2017.The seminar complemented General Chemistry
lectures by Professor Jozef Noga. Lecture slides (in Slovak) are available at
Department of Inorganic Chemistry website.
Below are some notes on the topics from the seminars. Any comments on errors,
oversimplifications, style, grammar, etc. are appreciated. The notes are work
in progress. All notes are in Slovak.
Below are some notes on the chemical calcultions seminar (work in progress).