212 citations · 913 across the 37 of their papers we have counts for
3 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…
A first-principles-based correlation functional for harmonious connection of short-range correlation and long-range dispersion
Marcin Modrzejewski, Michał Lesiuk, Łukasz Rajchel +2
We present a physically motivated correlation functional belonging to the meta-generalized gradient approximation (meta-GGA) rung, which can be supplemented with long-range dispers…