175 citations · 214 across the 15 of their papers we have counts for
3 papers · 1 filter
Benchmarking the accuracy of seniority-zero wavefunction methods for non-covalent interactions
Filip Brzęk, Katharina Boguslawski, Paweł Tecmer +1
In this paper, we scrutinize the ability of seniority-zero wavefunction-based methods to model different types of non-covalent interactions, such as hydrogen bonds, dispersion, and…
New Strategies in Modeling Electronic Structures and Properties with Applications to Actinides
Aleksandra Leszczyk, Paweł Tecmer, Katharina Boguslawski
This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compound…
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…