Cite this article:
Zhao Xiao-Li, Yang Ke, Xu Long-Quan, Ma Yong-Peng, Yan Shuai, Ni Dong-Dong, Kang Xu, Liu Ya-Wei, Zhu Lin-Fan. Compton profile of molecular hydrogenJ. Chin. Phys. B, 2015, 24(3): 033301.
| Zhao Xiao-Li, Yang Ke, Xu Long-Quan, Ma Yong-Peng, Yan Shuai, Ni Dong-Dong, Kang Xu, Liu Ya-Wei, Zhu Lin-Fan. Compton profile of molecular hydrogenJ. Chin. Phys. B, 2015, 24(3): 033301. |
Compton profile of molecular hydrogen
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Abstract
The Compton profile of molecular hydrogen has 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 at pz=0. Different theoretical methods, i.e., the density functional method, and the Hartree-Fock method, were used to calculate the Compton profiles of hydrogen with different basis sets, and the theoretical calculations are in agreement with the experimental observation in the whole pz region. Compared with the HF calculation, the DFT-B3LYP ones are in better agreement with the present experiment, which indicates the electron correlation effect is very important to describe the wavefunction in the ground state of hydrogen. -
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