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    Jin-ping Lei, Yan-zi Zhou, Dai-qian Xie. Theoretical Study on the Rotational Spectra of Ar-D232S Complex[J]. Chinese Journal of Chemical Physics , 2013, 26(6): 656-660. DOI: 10.1063/1674-0068/26/06/656-660
    Citation: Jin-ping Lei, Yan-zi Zhou, Dai-qian Xie. Theoretical Study on the Rotational Spectra of Ar-D232S Complex[J]. Chinese Journal of Chemical Physics , 2013, 26(6): 656-660. DOI: 10.1063/1674-0068/26/06/656-660

    Theoretical Study on the Rotational Spectra of Ar-D232S Complex

    • We report a theoretical study on the rotational spectra of Ar-D232S. The intermolecular po-tential energy surface was transformed from our latest ab initio three-dimensional potentialof Ar-D232S. The rotational energy levels and wavefunctions of the complex were calcu-lated by using the radial discrete variable representation/angular finite basis representation method and the Lanczos algorithm. The calculated rotational transition frequencies and structural parameters were found to be in good agreement with the available experimental
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