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Compton profile of molecular hydrogen |
| Zhao Xiao-Li (赵小利)a b, Yang Ke (杨科)c, Xu Long-Quan (徐龙泉)a b, Ma Yong-Peng (马永朋)c, Yan Shuai (闫帅)c, Ni Dong-Dong (倪冬冬)a b, Kang Xu (康旭)a b, Liu Ya-Wei (刘亚伟)a b, Zhu Lin-Fan (朱林繁)a b |
a Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China;
b Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 230026, China;
c Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204, China |
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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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Received: 01 September 2014
Revised: 23 October 2014
Accepted manuscript online:
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PACS:
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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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| Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. U1332204, 11274291, and 11104309), the National Basic Research Program of China (Grant No. 2010CB923301), and the Fundamental Research Funds for the Central Universities, China. The experiment was carried out in a beam time approved by Shanghai Synchrotron Radiation Facility (SSRF), China (Proposal Nos. 11sr0210, 12sr0009, and 13SRBL15U15487). |
Corresponding Authors:
Yang Ke, Zhu Lin-Fan
E-mail: yangke@sinap.ac.cn;lfzhu@ustc.edu.cn
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Cite this article:
Zhao Xiao-Li (赵小利), Yang Ke (杨科), Xu Long-Quan (徐龙泉), Ma Yong-Peng (马永朋), Yan Shuai (闫帅), Ni Dong-Dong (倪冬冬), Kang Xu (康旭), Liu Ya-Wei (刘亚伟), Zhu Lin-Fan (朱林繁) Compton profile of molecular hydrogen 2015 Chin. Phys. B 24 033301
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| [1] |
Zhu L F, Xu W Q, Yang K, Jiang Z, Kang X, Xie B P, Feng D L, Hiraoka N and Tsuei K D 2012 Phys. Rev. A 85 030501(R)
|
| [2] |
Sakurai H, Ota H, Tsuji N, Itou M and Sakurai Y 2011 J. Phys. B: At. Mol. Opt. Phys. 44 065001
|
| [3] |
Kobayashi K, Itou M, Hosoya T, Tsuji N, Sakurai Y and Sakurai H 2011 J. Phys. B: At. Mol. Opt. Phys. 44 115102
|
| [4] |
Eisenberger P and Reed W A 1972 Phys. Rev. A 5 2085
|
| [5] |
Eisenberger P and Reed W A 1974 Phys. Rev. B 9 3237
|
| [6] |
Paakkari T and Merisalo M 1975 Chem. Phys. Lett. 33 432
|
| [7] |
Thakkar A J and Tatewaki H 1990 Phys. Rev. A 42 1336
|
| [8] |
Kappeler H 1936 Ann. der Physik 419 129
|
| [9] |
DuMond J W M and Kirkpatrick H A 1937 Phys. Rev. 52 419
|
| [10] |
Williams B 1977 Compton Scattering: the Investigation of Electron Momentum Distributions (New York: McGraw-Hill International)
|
| [11] |
Eisenberger P 1970 Phys. Rev. A 2 1678
|
| [12] |
Eisenberger P and Marra W C 1971 Phys. Rev. Lett. 27 1413
|
| [13] |
Eisenberger P 1972 Phys. Rev. A 5 628
|
| [14] |
Eisenberger P 1972 J. Chem. Phys. 56 1207
|
| [15] |
Paakkari T and Merisalo M 1978 Chem. Phys. Lett. 53 313
|
| [16] |
Xie B P, Zhu L F, Yang K, Zhou B, Hiraoka N, Cai Y Q, Yao Y, Wu C Q, Wang E L and Feng D L 2010 Phys. Rev. A 82 032501
|
| [17] |
Zhu L F, Wang L S, Xie B P, Yang K, Hiraoka N, Cai Y Q and Feng D L 2011 J. Phys. B: At. Mol. Opt. Phys. 44 025203
|
| [18] |
Kang X, Yang K, Liu Y W, Xu W Q, Hiraoka N, Tsuei K D, Zhang P F and Zhu L F 2012 Phys. Rev. A 86 022509
|
| [19] |
Liu Y W, Mei X X, Kang X, Yang K, Xu W Q, Peng Y G, Hiraoka N, Tsuei K D, Zhang P F and Zhu L F 2014 Phys. Rev. A 89 014502
|
| [20] |
Peng Y G, Kang X, Yang K, Zhao X L, Liu Y W, Mei X X, Xu W Q, Hiraoka N, Tsuei K D and Zhu L F 2014 Phys. Rev. A 89 032512
|
| [21] |
Eisenberger P and Platzman P M 1970 Phys. Rev. A 2 415
|
| [22] |
Yan M, Shan X, Wu F, Xia X X, Wang K D, Xu K Z and Chen X J 2009 J. Phys. Chem. A 113 507
|
| [23] |
Frisch M J, Trucks G W, Schlegel H B, et al. 2003 GAUSSIAN 03 (Revision B. m 04) (Pittsburgh PA: Gaussian Inc.)
|
| [24] |
Hehre W J 2003 A Guide to Molecular Mechanics and Quantum Chemical Calculations (Irvine: Wavefunction Inc.)
|
| [25] |
Becke A D 1993 J. Chem. Phys. 98 5648
|
| [26] |
Lee C, Yang W and Parr R G 1988 Phys. Rev. B 37 785
|
| [27] |
Hu X L, Qu Y Z, Zhang S B and Zhang Y 2012 Chin. Phys. B 21 103401
|
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