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physics.chem-ph2013★ 6 cited
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…
physics.chem-ph2013★ 23 cited
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…