212 citations · 1.7k across the 57 of their papers we have counts for
4 papers · 2 filters
Calculation of the molecular integrals with the range-separated correlation factor
Michał Silkowski, Michał Lesiuk, Robert Moszynski
Explicitly correlated quantum chemical calculations require calculations of five types of molecular integrals beyond the standard electron repulsion integrals. We present a novel s…
Calculation of two-centre two-electron integrals over Slater-type orbitals revisited. III. Case study of the beryllium dimer
Michał Lesiuk, Michał Przybytek, Monika Musiał +2
In this paper we present results of ab-initio calculations for the beryllium dimer with basis set of Slater-type orbitals (STOs). Nonrelativistic interaction energy of the system i…
Transition properties from the Hermitian formulation of the coupled cluster polarization propagator
Aleksandra M. Tucholska, Marcin Modrzejewski, Robert Moszynski
Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. Żucho…
Global potential energy surface for the O2 + N2 interaction. Applications to the collisional, spectroscopic, and thermodynamic properties of the complex
Massimiliano Bartolomei, Estela Carmona-Novillo, Marta I. Hernádez +2
A detailed characterization of the interaction between the most abundant molecules in air is important for the understanding of a variety of phenomena in atmospherical science. A c…