Research Interests of Department of Theoretical Chemistry

• Ab Initio Calculations


• Ab Initio Quantum Chemical Investigation of Electric Field Gradients in Molecules


• Application of QCH Methods and Programs for Calculations of PES


• Electron-Molecule Interactions: Electron scattering and vibrational excitation


• Molecular dynamics


• Multireference coupled cluster methods


• Theoretical study of electronic structure of solid surfaces, clusters and other nanostructures


• Theory of Resonnances: Modeling Quantum Resonnances

Scientists and students of the Department... (XI/2015)