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

doi: 10.1063/1674-0068/26/06/656-660
Funds:  This work was supported by the National Natural Sci-ence Foundation of China (No.20273066, No.91021010, and No.21273104
  • 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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Theoretical Study on the Rotational Spectra of Ar-D232S Complex

doi: 10.1063/1674-0068/26/06/656-660
Funds:  This work was supported by the National Natural Sci-ence Foundation of China (No.20273066, No.91021010, and No.21273104

Abstract: 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

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

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