212 citations · 913 across the 37 of their papers we have counts for
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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…
Calculation of two-centre two-electron integrals over Slater-type orbitals revisited. II. Neumann expansion of the exchange integrals
Michał Lesiuk, Robert Moszynski
In this paper we consider calculation of two-centre exchange integrals over Slater-type orbitals (STOs). We apply the Neumann expansion of the Coulomb interaction potential and con…
Calculation of two-centre two-electron integrals over Slater-type orbitals revisited. I. Coulomb and hybrid integrals
Michał Lesiuk, Robert Moszynski
In this paper, which constitutes the first part of the series, we consider calculation of two-centre Coulomb and hybrid integrals over Slater-type orbitals (STOs). General formulae…
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…