46 citations · 54 across the 2 of their papers we have counts for
4 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…
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…