- 作者: Levi Waldrona and Wing-Ki Liub
- 中文摘要:
aDepartment of Physics and Guelph-Waterloo Physics Institute aG|Wn, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1, Canada
bDepartment of Physics and Guelph-Waterloo Physics Institute aG|Wn, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 and Faculty of Forestry, University of Toronto, 33 Willcocks Street, Toronto, Ontario, Canada M5S 3B3
Employing the recent XC(fit) intermolecular potential for H2-Ar, we have presented the results of the spectral parameters for the D2-Ar Raman Q1 branch, obtained from quantum mechanical close-coupled calculations. While the theoretical line shifts of the polarized Raman spectra were found to agree with experiments, the corresponding widths were smaller than the measured values by as much as 56%. We observed that the shifts and the widths depend on the vibrational dependence of the potential in their own separate ways, and our results suggested that the anisotropic vibrational dependence of the XC(fit) potential requires improvement, in conjunction with further fine-tuning of the isotropic part. Even though there is no experimental data for comparison, we have computed the line-mixing parameters of the polarized Raman Q1 branch, as well as the depolarized line widths and shifts for the Q1(j) lines. These results showed the same trends as the corresponding ones for D2-He. - 英文摘要: --
- 中文關鍵字: --
- 英文關鍵字: --