| ATOMIC AND MOLECULAR PHYSICS |
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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** |
1Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026
2Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 230026
3Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204
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| Cite this article: |
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Xiao-Xun Mei, Xiao-Li Zhao, Long-Quan Xu et al 2016 Chin. Phys. Lett. 33 093301 |
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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.
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Received: 22 June 2016
Published: 30 September 2016
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| PACS: |
33.20.Rm
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(X-ray spectra)
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34.50.Gb
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(Electronic excitation and ionization of molecules)
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33.70.Ca
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(Oscillator and band strengths, lifetimes, transition moments, and Franck-Condon factors)
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