45 citations · 185 across the 10 of their papers we have counts for
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Notes on ab initio investigation of the CrH molecule and its interaction with He
Jacek Kłos, Michał Hapka, Grzegorz Chałasiński
Potential and dipole moment curves for the CrH(X) molecule were obtained at the internally-contracted multi-reference configuration interaction with single and double excita…
Density-Dependent Onset of the Long-Range Exchange: A Key to Donor-Acceptor Properties
Marcin Modrzejewski, Grzegorz Chałasiński, Małgorzata M. Szczęśniak
Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor-acceptor systems and engineered ba…
First-principle interaction potentials for metastable He(S) and Ne(P) with closed-shell molecules. Application to Penning-Ionizing systems
Michał Hapka, Grzegorz Chalasinski, Jacek Kłos +1
We present new interaction potential curves, calculated from first-principle, for the HeS)H and HeS)Ar systems, relevant in Penning's ionization experiments…