Calculations have been carried out for the vibrational quenching of excited H2 molecules which collide with Li+ ions at ultralow energies. The dynamics has been treated exactly using the well-known quantum coupled-channel expansions over different initial vibrational levels. The overall interaction potential has been obtained from the calculations carried out earlier by our group using highly correlated ab initio methods. The results indicate that specific features of the scattering observables, e.g., the appearance of Ramsauer-Townsend minima in elastic channel cross sections and the marked increase of the cooling rates from specific initial states, can be linked to potential properties at vanishing energies sign and size of scattering lengths and to the presence of either virtual states or bound states. The suggestion is made such that by selecting the initial state preparation of the molecular partners, the ionic interactions would be amenable to controlling quenching efficiency at ultralow energies.
Collisional quenching at ultralow energies: Controlling efficiency with internal state selection / Bovino, Stefano; Bodo, Enrico; Gianturco, Francesco Antonio. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 127:(2007), pp. 224303-1-224303-7. [10.1063/1.2800658]
Collisional quenching at ultralow energies: Controlling efficiency with internal state selection
BOVINO, STEFANO;BODO, Enrico;GIANTURCO, Francesco Antonio
2007
Abstract
Calculations have been carried out for the vibrational quenching of excited H2 molecules which collide with Li+ ions at ultralow energies. The dynamics has been treated exactly using the well-known quantum coupled-channel expansions over different initial vibrational levels. The overall interaction potential has been obtained from the calculations carried out earlier by our group using highly correlated ab initio methods. The results indicate that specific features of the scattering observables, e.g., the appearance of Ramsauer-Townsend minima in elastic channel cross sections and the marked increase of the cooling rates from specific initial states, can be linked to potential properties at vanishing energies sign and size of scattering lengths and to the presence of either virtual states or bound states. The suggestion is made such that by selecting the initial state preparation of the molecular partners, the ionic interactions would be amenable to controlling quenching efficiency at ultralow energies.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.