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    Li Wei, Qu Junyan, Zhao Xinsheng. A Theoretical Prediction of the Vibrational Spectra of Ar2H+[J]. Chinese Journal of Chemical Physics , 2002, 15(3): 188-192. DOI: 10.1088/1674-0068/15/3/188-192
    Citation: Li Wei, Qu Junyan, Zhao Xinsheng. A Theoretical Prediction of the Vibrational Spectra of Ar2H+[J]. Chinese Journal of Chemical Physics , 2002, 15(3): 188-192. DOI: 10.1088/1674-0068/15/3/188-192

    A Theoretical Prediction of the Vibrational Spectra of Ar2H+

    • Based on the global potential energy surface(PES)of Ar2H+ ground state provided by our group recently,we calculated the vibrational spectra with total angular momentum J = 0 by time-dependent wave packet method and some of the spectra peaks have been assigned. The comparison between some properties gained from this PES with ab inito results showed that this new established PES contains accurate information and it can be used for further dynamics studies.
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