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Investigation of Compton profiles of molecular methane and ethane
Xiao-Li Zhao1, Ke Yang2, Long-Quan Xu1
1Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics,University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.
Abstract:
The Compton profiles of methane and ethane molecules have been determined 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 pz = 0. The density functional theory with aug-cc-pVTZ basis set was used to calculate the Compton profiles of methane and ethane. The present experimental Compton profiles are in better agreement with the theoretical calculations in the whole pz region than the previous experimental results, which indicates that the present experimental Compton profiles are accurate enough to serve as the benchmark data for methane and ethane molecules.
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