Christian Lasar, PhD
- development of new quantum chemical methods
- pair correlation methods
- inclusion of orbital optimization (MCSCF)
- inclusion of explicit correlation
- development of a new contraction scheme for local correlation
Supervision of bachelor/master theses:
- explanation of reaction mechanisms
- prediction of product yields and activation barriers
- C. Lasar, T. Klüner, Explicitly Correlated Orbital Optimized Contracted Pair Correlation Methods: Foundations and Applications, J. Theor. Comput. Chem., 2018, 17, 1850024.
- C. Lasar, T. Klüner, Explicitly Correlated Orbital Optimized Contracted Pair Correlation Methods: A Short Overview, J. Phys. Chem. A, 2017, 121.
- T. Oswald, T. Gelert, C. Lasar, M. Schmidtmann, T. Klüner, R. Beckhaus, Formation of Binuclear Zigzag Hexapentaene Titanium Complexes via a Titanacumulene [Ti=C=C=CH2] Intermediate, Angew. Chem. Int. Ed., 2017, 56.