46 citations · 170 across the 6 of their papers we have counts for
6 papers
Spontaneous Electron Emission Versus Dissociation in Internally Hot Silver Dimer Anions
Patryk Jasik, Jan Franz, Dariusz Kędziera +3
Referring to a recent experiment, we theoretically study the process of a two-channel decay of the diatomic silver anion (Ag), namely the spontaneous electron ejection giving…
Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics
Katharina Boguslawski, Aleksandra Leszczyk, Artur Nowak +4
Pythonic Black-box Electronic Structure Tool (PyBEST) represents a fully-fledged modern electronic structure software package developed at Nicolaus Copernicus University in Toruń.…
Modeling the electronic structures of the ground and excited states of the ytterbium atom and the ytterbium dimer: A modern quantum chemistry perspective
Paweł Tecmer, Katharina Boguslawski, Mateusz Borkowski +2
We present a comprehensive theoretical study of the electronic structures of the Yb atom and the Yb molecule, respectively, focusing on their ground and lowest-lying electronic…
Ab Initio Study of Chemical Reactions of Cold SrF and CaF Molecules with Alkali-Metal and Alkaline-Earth-Metal Atoms
Maciej Kosicki, Dariusz Kedziera, Piotr Zuchowski
We investigate the energetics of the atom exchange reaction in the SrF+alkali-metal atom and CaF+alkali-metal atom systems. Such reactions are possible only for collisions of SrF a…
D1 and D2 lines in Li including QED effects
M. Puchalski, D. Kedziera, K. Pachucki
Accurate theoretical predictions including leading QED corrections for (D1) and (D2) transition energies have been obtained for…
Ground state of Li and Be using explicitly correlated functions
Mariusz Puchalski, Dariusz Kedziera, Krzysztof Pachucki
We compare the explicitly correlated Hylleraas and exponential basis sets in the evaluations of ground state of Li and Be. Calculations with Hylleraas functions are numerically…