6533b837fe1ef96bd12a32ab
RESEARCH PRODUCT
Mutual capture of dipolar molecules at low and very low energies. II. Numerical study.
E. E. NikitinE. I. DashevskayaMarcis AuzinshI. LitvinJürgen Troesubject
DipoleModels ChemicalPolarizabilityChemistryConvergence (routing)Quantum TheoryMoleculePhysical and Theoretical ChemistryAtomic physicsAdiabatic processQuantumResonance (particle physics)Interpolationdescription
The low-energy rate coefficients of capture of two identical dipolar polarizable rigid rotors in their lowest nonresonant (j(1) = 0 and j(2) = 0) and resonant (j(1) = 0, 1 and j(2) = 1, 0) states are calculated accurately within the close-coupling (CC) approach. The convergence of the quantum rate coefficients to their quantum-classical counterparts is studied. A comparison of the present accurate numerical with approximate analytical results (Nikitin, E. E.; Troe, J. J. Phys. Chem. A 2010, 114, 9762) indicates a good performance of the previous approach which was based on the interpolation between s-wave fly wheel quantal and all-wave classical adiabatic channel limits. The results obtained apply as well to the formation of transient molecular species in the encounter of two atoms at very low collision energy interacting via resonance dipole-dipole interaction.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-05-26 |