Supervisor’s research interests

Theoretical investigation of electronic structure of molecules by ab initio methods. Development of the new methods, numerical algorithms, and computer programs of ab initio methods.

Main publications

• A.V. Mitin, Unusual chemical bonding in the beryllium dimer and its twelve vibrational levels, Chem. Phys. Lett., 2017, 682, 30 (2017)
• A.V. Mitin and C. Van Wüllen, Two-Component Relativistic Density Functional Calculations of the Dimers of the Halogens from Bromine through Element 117 Using Effective Core Potential and All-Electron Methods, J. Chem. Phys., 124, 064305 (2006)
• A.V. Mitin, J.Baker, P. Pulay, An Improved 6-31G* Basis Set for First-Row Transition Metals, J. Chem. Phys., 118, 7775 (2003)
• Metastable and scattering states of a diatomic beryllium molecule May 2021 DOI:10.1117/12.2585634 (http://dx.doi.org/10.1117/12.2585634) Conference: Laser Physics, Photonic Technologies, and Molecular Modeling
• Spectrum of Beryllium Dimer in Ground X 1 Σ g + State January 2021Journal of Quantitative Spectroscopy and Radiative Transfer (https://www.researchgate.net/journal/Journal-of-Quantitative-Spectroscopy-and-Radiative-Transfer-0022-4073) 262(5958):107529 DOI:10.1016/j.jqsrt.2021.107529 (http://dx.doi.org/10.1016/j.jqsrt.2021.107529)