SYMMETRY ADAPTED PERTURBATION THEORY
Many of my papers were devoted to the derivation of open-shell SAPT or calculations of dispersion free interactions energies.
Dispersion interaction of high-spin open-shell complexes in the random phase approximation
J. Chem. Phys. 119, 10497 (2003)
Density Functional Theory Approach to Noncovalent Interactions via Monomer Polarization and Pauli Blockade
Phys. Rev. Lett. 104, 163001 (2010)
Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes
J. Chem. Phys. 137, 164104 (2012)
First-order symmetry-adapted perturbation theory for multiplet
J. Chem. Phys. 148, 164110 (2018)
METASTABLE ATOMS AND PENNING IONIZATION STORY
I had the honour to collaborate with one best experimental group working with collisions in molecular beams. This was the first-ever case of precise prediction of positions of collisional resonances from first principles.
Kinetic Isotope Effect in Low-Energy Collisions between Hydrogen Isotopologues and Metastable Helium Atoms: Theoretical Calculations Including the Vibrational Excitation of the Molecule
J. Chem. Theory Comput. 2021, 17, 2, 1008–1016
Evidence of Nonrigidity Effects in the Description of Low-Energy Anisotropic Molecular Collisions of Hydrogen Molecules with Excited Metastable Helium Atoms
J. Chem. Theory Comput. 2020, 16, 4, 2450–2459
Observation of the isotope effect in sub-kelvin reactions
Nature Chemistry 6, 332–335 (2014)
Directly probing anisotropy in atom–molecule collisions through quantum scattering resonances
Nature Physics 13, 35–38 (2017)
FESHBACH RESONANCES IN COLD COLLISIONS
Control of interaction strength is vital for quantum simulations, Bose-Einstein condensation, magneto-association, and many other experiments in cold matter physics. I was involved in studies of a novel type of Feshbach resonances between various atoms, which are the subject of studies in most recent experiments.
Ultracold RbSr molecules can be formed by magnetoassociation
Phys. Rev. Lett. 105, 153201 (2010)
Magnetically tunable Feshbach resonances in ultracold gases of europium atoms and mixtures of europium and alkali-metal atoms
Phys. Rev. A 98, 032704
Observation of Feshbach resonances between alkali and closed-shell
atoms Nature Physics 14, 881–884 (2018)
Some recent examples of applications of SAPT include squarine clusters and atmospheric species: like super important CO2+ O2 complex (for which one needs open-shell SAPT). More applications are on their way.
I merely started, but I have some papers already. Our expertise in accurate interaction potentials can be used in calculations of collision rates relevant to astrochemistry. These include collisions with hydrogen and helium atoms, but also reactive surfaces - or actually, their fragments are enough in some cases.
NO+ + H2: Potential energy surface and bound state calculations
Chemical Physics Letters 771, 16, 138511 (2021)
Rotational excitation of highly excited H2O by H2
Monthly Notices of the Royal Astronomical Society, 502, 4, 5356–5361 (2021)
COLD MOLECULES, THEORETICAL SPECTROSCOPY
In Torun we have great opportunity to interact with ultra cold physics experiments. One of the unique ones is experiment on formation of exotic Hg+Rb molecules. Our group helps to explain the spectra of these molecules, and designs optical transfer go Hg+Rb to the absolute ground state. Also, we plan similar experiments for Hg dimer.
Dual Hg-Rb magneto-optical trap
Optics Express 25, 3165-3179, (2017)
Marcin Witkowski, Bartłomiej Nagórny, Rodolfo Munoz-Rodriguez, Roman Ciuryło, Piotr Szymon Żuchowski, Sławomir Bilicki, Marcin Piotrowski, Piotr Morzyński, and Michał Zawada