Compton profile of molecular hydrogen

doi:10.1088/1674-1056/24/3/033301

中国物理B ›› 2015, Vol. 24 ›› Issue (3): 33301-033301.doi: 10.1088/1674-1056/24/3/033301

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Compton profile of molecular hydrogen

赵小利^{a b}, 杨科^c, 徐龙泉^{a b}, 马永朋^c, 闫帅^c, 倪冬冬^{a b}, 康旭^{a b}, 刘亚伟^{a b}, 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

收稿日期:2014-09-01 修回日期:2014-10-23 出版日期:2015-03-05 发布日期:2015-03-05
基金资助:
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).

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

Received:2014-09-01 Revised:2014-10-23 Online:2015-03-05 Published:2015-03-05
Contact: Yang Ke, Zhu Lin-Fan E-mail:yangke@sinap.ac.cn;lfzhu@ustc.edu.cn
Supported by:
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).

摘要/Abstract

摘要：

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 p_z=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 p_z 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.

关键词: Compton profile, hydrogen molecule, electron correlation

Abstract:

Key words: Compton profile, hydrogen molecule, electron correlation

中图分类号: (X-ray spectra)

33.20.Rm

34.50.Gb (Electronic excitation and ionization of molecules) 33.70.Ca (Oscillator and band strengths, lifetimes, transition moments, and Franck-Condon factors)

赵小利, 杨科, 徐龙泉, 马永朋, 闫帅, 倪冬冬, 康旭, 刘亚伟, 朱林繁. Compton profile of molecular hydrogen[J]. 中国物理B, 2015, 24(3): 33301-033301.

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[J]. Chin. Phys. B, 2015, 24(3): 33301-033301.

参考文献 27

[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

Compton profile of molecular hydrogen

Compton profile of molecular hydrogen

RichHTML

PDF (PC)

赞

可视化

摘要/Abstract

引用本文

使用本文

参考文献 27

相关文章 15

Metrics

本文评价

推荐阅读 0

[1]	Xinwen Ma(马新文), Shaofeng Zhang(张少锋), Weiqiang Wen(汶伟强), Zhongkui Huang(黄忠魁), Zhimin Hu(胡智民), Dalong Guo(郭大龙), Junwen Gao(高俊文), Bennaceur Najjari, Shenyue Xu(许慎跃), Shuncheng Yan(闫顺成), Ke Yao(姚科), Ruitian Zhang(张瑞田), Yong Gao(高永), and Xiaolong Zhu(朱小龙). Atomic structure and collision dynamics with highly charged ions[J]. 中国物理B, 2022, 31(9): 93401-093401.
[2]	Xi Zhao(赵曦), Gangtai Zhang(张刚台), Tingting Bai(白婷婷), Jun Wang(王俊), and Wei-Wei Yu(于伟威). HeTDSE: A GPU based program to solve the full-dimensional time-dependent Schrödinger equation for two-electron helium subjected to strong laser fields[J]. 中国物理B, 2021, 30(7): 73201-073201.
[3]	丁晓彬, 吴存强, 曹铭欣, 张登红, 张明武, 薛迎利, 于得洋, 董晨钟. Effects of electron correlation and the Breit interaction on one- and two-electron one-photon transitions in double K hole states of He-like ions (10≤Z≤47)[J]. 中国物理B, 2020, 29(3): 33101-033101.
[4]	杜玲玲, 王国利, 李鹏程, 周效信. Low-order harmonic generation of hydrogen molecular ion in laser field studied by the two-state model[J]. 中国物理B, 2018, 27(11): 113201-113201.
[5]	董善思, 韩秋静, 张敬涛. Equivalent electron correlations in nonsequential double ionization of noble atoms[J]. 中国物理B, 2017, 26(2): 23202-023202.
[6]	冯誉雯, 赵晖, 陈宇光, 鄢永红. Effect of disorder on exciton dissociation in conjugated polymers[J]. 中国物理B, 2017, 26(10): 107103-107103.
[7]	童瑶, 姜维超, 伍攀, 彭良友. Two-photon double ionization of helium by chirped few-cycle attosecond pulses: From nonsequential to sequential regime[J]. 中国物理B, 2016, 25(7): 73202-073202.
[8]	E. Ghanbari-Adivi, S. Eskandari. Electron correlation in fast ion-impact single ionization of helium atoms[J]. 中国物理B, 2015, 24(1): 13401-013401.
[9]	童爱红, 刘丹, 冯国强. Nonsequential double ionization of diatomic molecules by elliptically polarized laser pulses[J]. , 2014, 23(10): 103302-103302.
[10]	王远成, 刘俊伯, 马佳, 刘德军, 周雅君. Triple differential cross section for single ionization of H₂ by electron impact[J]. 中国物理B, 2013, 22(7): 73403-073403.
[11]	叶丹丹, 祁月盈, 胡亚华, 宁丽娜. Cross section for impact single ionization of B²⁺ by H⁺[J]. 中国物理B, 2013, 22(5): 53401-053401.
[12]	胡师林, 史庭云. Effect of electron correlation on high-order harmonic generation in helium model atom[J]. Chin. Phys. B, 2013, 22(1): 13101-013101.
[13]	余本海, 李盈傧, 汤清彬. Electron correlations in nonsequential double ionization of argon atoms by elliptically polarized laser pulses[J]. Chin. Phys. B, 2013, 22(1): 13206-013206.
[14]	胡骁骊, 屈一至, 张松斌, 张宇. Dielectronic recombination and resonant transfer excitation processes for helium-like krypton[J]. 中国物理B, 2012, 21(10): 103401-103401.
[15]	苏国林, 任雪光, 张书锋, 宁传刚, 周晖, 李彬, 李桂琴, 邓景康. Experimental and calculated momentum densities for the complete valence orbitals of the antimicrobial agent diacetyl[J]. 中国物理B, 2005, 14(10): 1966-1973.