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Lukas Konecny

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.

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Research Interests
  • relativistic methods in quantum chemistry
  • electron dynamics
  • response theory
  • spectroscopy

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).

Study Materials

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 the 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).

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