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本文用离散变量表示(DVR)方法研究了Ar—HF和Ar—DF体系的振转光谱.对这两个体系的已观测到的振转能级,用DVR方法得到的计算值与实验结果十分吻合,误差一般小于0.1cm~(-1),最大偏差为0.24cm~(-1)对Ar—HF的(1113)态.该研究结果与Hutson等用耦合孔道法得到的计算结果基本一致,但对(3210)振动能级和对(3002)-(3110)态的能级分裂值,本文计算结果更接近观测值.
In this paper, the vibrational spectra of Ar-HF and Ar-DF systems are studied by the discrete variable representation (DVR) method. For the observed vibrational levels of these two systems, the calculated values obtained by the DVR method are in good agreement with the experimental results The error is generally less than 0.1 cm -1 and the maximum deviation is 0.24 cm -1 to the (1113) state of Ar-HF.The results of this study are basically consistent with those of Hutson et al. However, for the (3210) vibrational energy level and (3002) - (3110) state level splitting values, the calculation results are closer to the observed values.