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
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
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
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 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.
中图分类号: (X-ray spectra)