Compton profile of molecular hydrogen

被引：5

作者：

Zhao Xiao-Li ^{[1
,2
,3
]}

Yang Ke ^{[4
]}

Xu Long-Quan ^{[1
,2
,3
]}

Ma Yong-Peng ^{[4
]}

Yan Shuai ^{[4
]}

Ni Dong-Dong ^{[1
,2
,3
]}

Kang Xu ^{[1
,2
,3
]}

Liu Ya-Wei ^{[1
,2
,3
]}

Zhu Lin-Fan ^{[1
,2
,3
]}

机构：

[1] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China

[2] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Peoples R China

[3] Univ Sci & Technol China, Synerget Innovat Ctr Quantum Informat & Quantum P, Hefei 230026, Peoples R China

[4] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201204, Peoples R China

来源：

CHINESE PHYSICS B | 2015年 / 24卷 / 03期

基金：

中国国家自然科学基金;

关键词：

Compton profile; hydrogen molecule; electron correlation; X-RAYS; SCATTERING; N2; DENSITY; HE; NE; O2;

D O I：

10.1088/1674-1056/24/3/033301

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

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.

引用

页数：4

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