The research in that field includes the light and charge particles interactions with atomic and molecular systems studied both experimentally and theoretically. Computational methods in atomic and molecular physics and theory of relativistic effects in atoms are also developed. Special attention is paid to molecular photophysics studies in which photophysical and photoelectric properties of organic materials are investigated. Theoretical description of the photophysics of light-harvesting molecular systems and supramolecular photocatalysts for hydrogen generation is carried out. Properties of the optically anisotropic materials are also studied experimentally.
Electron interactions with molecules
Low- and intermediate-energy electron interactions with molecules includes experimental and theoretical studies. In particular measurements of total cross sections for electron scattering from molecular targets of biological, environmental and technological interest are carried out (Division of Electron Collisions). Theoretical works are devoted to calculations of cross sections for electron scattering from complex molecules. Processes of electron impact excitation of molecular targets, negative ion resonance effects in electron collisions, measurements of absolute differential cross sections for electron scattering and the new experimental methods in electron collision spectroscopy are extensively investigated (Division of Complex Systems Spectroscopy). The research work performed also involves studies of photoionisation and photofragmentation of atoms and molecules with the use of synchrotron radiation.
Key words: electron scattering; photoionization; cross section; electron spectrometer; scattering theory
Computational methods
Computational methods like multiconfiguration Dirac-Fock method (MCDF) and the J-matrix method in atomic physics are successively developed and applied in calculations of atomic and molecular structures (Division of Theoretical Physics and Quantum Information). Calculations of the contribution of the continuum electrons for atomic electric dipole moments (EDM) are also performed. EDM could be understand as irregularity of the electric charge distribution. The aim of the calculations is to estimate the influence of the continuum electron for the EDM for selected diamagnetic atoms, using the MCDF approach.
Key words: multiconfiguration Dirac-Fock method; J-matrix method; atomic and molecular structure; electric dipole moment
Relativistic effects
Theoretical studies on the relativistic effects in atoms are devoted to answer the question how static electric and magnetic fields influence certain properties of one-electron atomic systems (Division of Atomic, Molecular and Optical Physics). Relativistic effects in structures of the atomic systems are described at the Dirac equation level. Dipole and multipole electric polarizabilities, magnetic susceptibilities, cross-susceptibilities, and also nucleus shielding constants, for atoms in their ground and excited states are studied and computed analytically with the aid of the Sturmian expansion of the Dirac-Coulomb Green function.
Key words: one-electron atom; Dirac equation; polarizability; magnetic susceptibilities
Photophysics of light-harvesting molecular systems and supramolecular photocatalysts for hydrogen generation
Theoretical investigation of the photophysics of light-harvesting molecular systems and supramolecular photocatalysts for hydrogen generation is important field of research (Division of Theoretical Physics and Quantum Information). The main motivation for such studies is to find a solution to the global energy crisis, searching for sources of energy that are renewable, clean and cheap. In this respect, a promising source of energy is sunlight and possibility to convert sunlight into chemical energy by means of photosynthesis. Thus, the fundamental photophysical and photochemical properties and processes in light-harvesting molecular systems (dye-sensitized solar cells and supramolecular photocatalysts) are investigated by means of computational and theoretical approaches. In particular, the structures, energies and properties of the molecular excited states are predicted using quantum chemistry methods. The electron transfer rates are determined in order to unravel the relaxation pathways leading to charge separation or charge recombination. Additionally, spectroscopic properties, for example absorption, emission and resonance Raman spectra, are simulated to provide interpretation of experimental results.
Key words: photophysics; light-harvesting molecular systems, dye-sensitized solar cells, supramolecular photocatalysts
Photophysical and photoelectric properties of organic materials
Photophysical and photoelectric properties of organic materials and organic photovoltaic cells (OPVs) are also studied experimentally using, among others. electromodulation spectroscopy (Division of Molecular Photophysics). Studies are devoted to the photoluminescence, photoconductivity and electroluminescence in external magnetic field. Electronic excited states in organic materials and charge generation and recombination in organic light-emitting diodes (OLEDs) are studied.
Key words: photophysics; organic light emitting diodes; organic photovoltaic cells
Polarimetric studies
Experimental polarimetric studies of the optically anisotropic materials are devoted to investigation of the properties of crystals with inherent or induced optical activity and materials with nanoparticles or other inclusions that modify optical response of the material (Division of Atomic, Molecular and Optical Physics). Especially, electro-optical effects, optical activity and dichroism are studied.
Key words: polarimetry; optical anisotropy; optical crystals; nanoparticles
