HIGH-ACCURACY COMPTON PROFILE OF MOLECULAR-HYDROGEN FROM EXPLICITLY CORRELATED GAUSSIAN WAVE-FUNCTION

被引:74
作者
JEZIORSKI, B
SZALEWICZ, K
机构
[1] Quantum Chemistry Laboratory, University of Warsaw, 02-093 Warsaw
来源
PHYSICAL REVIEW A | 1979年 / 19卷 / 06期
关键词
D O I
10.1103/PhysRevA.19.2360
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The electron momentum distribution for molecular hydrogen is calculated from an explicitly correlated Gaussian wave function corresponding to the total energy of - 1.17442 a.u. and accounting for 99.9% of the correlation energy. The high-accuracy Compton profile obtained confirms the results of recent high-energy electron-impact spectroscopy measurements of Lee, but disagrees in the region of very small momentum with earlier x-ray Compton-scattering data. © 1979 The American Physical Society.
引用
收藏
页码:2360 / 2365
页数:6
相关论文
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