Mutual Capture of Dipolar Molecules at Low and Very Low Energies. II. Numerical Study

被引：8

作者：

Auzinsh, M. ^{[2
]}

Dashevskaya, E. I. ^{[1
,3
]}

Litvin, I. ^{[1
,3
]}

Nikitin, E. E. ^{[1
,3
]}

Troe, J. ^{[1
,4
]}

机构：

[1] Max Planck Inst Biophys Chem, D-37077 Gottingen, Germany

[2] Univ Latvia, Dept Phys, LV-1586 Riga, Latvia

[3] Technion Israel Inst Technol, Schulich Fac Chem, IL-32000 Haifa, Israel

[4] Univ Gottingen, Inst Phys Chem, D-37077 Gottingen, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2011年 / 115卷 / 20期

关键词：

D O I：

10.1021/jp112098a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：5027 / 5037

页数：11

共 18 条

[1] Product multiplet branching in the O(1D)+H2→OH(2Π)+H reaction [J].