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We present new interaction potential curves, calculated from first-principle,for the He$(^3$S)$...$H$_2$ and He$(^3$S)$...$Ar systems, relevant in Penning'sionization experiments. Two different approaches were applied: supermolecularusing coupled cluster theory (CC) and perturbational within symmetry-adaptedperturbation theory (SAPT). Both methods gave consistent results and thepotentials were used to determine the positions of shape resonances in lowcollision energy scattering regime. We found a good agreement with the mostrecent scattering experiment of Henson {\em et al.} [Science {\bf 338}, 234(2012)].  In addition, we investigated two other dimers, composed of metastable Ne andground state He and Ar atoms. For the Ne$(^3$P)$...$He system a good agreementbetween CC and SAPT approaches was obtained. The Ne$(^3$P)$...$Ar dimer wasdescribed only with SAPT, as CC gave divergent results. Ne$^*$ systems exhibitextremely small electronic orbital angular momentum anisotropy of thepotentials. We attribute this effect to the screening of the open 2$p$ shell bythe singly occupied 3$s$ shell.

First-principle interaction potentials for metastable He($^3$S) and Ne($^3$P) with closed-shell molecules. Application to Penning-Ionizing systems