Investigation of Compton Profile of Molecular Propane
Xiao-Xun Mei1,2 , Xiao-Li Zhao1,2 , Long-Quan Xu1,2 , Ya-Wei Liu1,2 , Xu Kang1,2 , Shuai Yan3 , Dong-Dong Ni1,2 , Ke Yang3** , Lin-Fan Zhu1,2**
1 Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 2300262 Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 2300263 Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204
Abstract ：The experimental Compton profile of the propane molecule is measured at an incident photon energy of 20 keV based on the third generation synchrotron radiation, and the statistical accuracy of 0.2% is achieved near $p_{z}=0$. The calculated Compton profile by the density functional theory with aug-cc-pVTZ basis set reproduces the experimental observation very well. The joint experimental and theoretical investigation provides the benchmark data of the electronic structure of propane.
收稿日期: 2016-06-22
出版日期: 2016-09-30
:
33.20.Rm
(X-ray spectra)
34.50.Gb
(Electronic excitation and ionization of molecules)
33.70.Ca
(Oscillator and band strengths, lifetimes, transition moments, and Franck-Condon factors)
引用本文:
. [J]. 中国物理快报, 2016, 33(09): 93301-093301.
链接本文:
https://cpl.iphy.ac.cn/CN/10.1088/0256-307X/33/9/093301
或
https://cpl.iphy.ac.cn/CN/Y2016/V33/I09/93301
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2016, Vol. 33 
