Rydberg States of Zn-Ar complex
Ab initio potential energy curves (PECs) of electronic states of ZnAr complex up to Rydberg (4s6s) 1S0 asymptote of Zn atom are calculated. It is emphasized that the inclusion of the midbond basis functions substantially improves the convergence rate of the binding energies with respect to the basis set size not only for the van der Waals ground state of ZnAr complex, but also it is the case for the excited states including the Rydberg ones. Properties of the double-well PECs of Σ Rydberg states are interpreted within simplified theory, in which, the appearance of the energy barrier and, partially, of the outer well originates from the low-energy scattering of the Rydberg electron on Ar atom. Wherever it is possible, the comparison with the experimental data and other theoretical results is presente
The seminar will be held in room no. 361 at IFTiA, as well as online at the following link:
https://zoom.us/j/94361414308?pwd=cC8xaTNBd290Rzk1TUgrZzZhcWczUT09
Meeting ID: 943 6141 4308
Passcode: 78pA05