当前位置: X-MOL 学术J. Phys. B: At. Mol. Opt. Phys. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Accurate atomic momentum integrals and Compton profiles
Journal of Physics B: Atomic, Molecular and Optical Physics ( IF 1.6 ) Pub Date : 2021-03-02 , DOI: 10.1088/1361-6455/abcd21
Beatriz Miguel 1 , Rafael Lpez 2 , Jos M Garca de la Vega 2
Affiliation  

Analytical expressions for integrals involving momentum density have been developed, and an algorithm for the efficient computation of Compton profiles (CPs) based in those equations is reported. The performance of the algorithm is tested by computing the CPs of atoms from helium to xenon for a wide range of incident photon energies. Calculations have been made at Hartree–Fock level (HF), using three different Slater basis sets, showing a good agreement with the experimental results.



中文翻译:

精确的原子动量积分和康普顿轮廓

已经开发了涉及动量密度的积分的解析表达式,并报告了基于这些方程式有效计算Compton轮廓(CP)的算法。通过计算各种入射光子能量从氦到氙原子的CP来测试算法的性能。使用三个不同的Slater基集在Hartree-Fock级别(HF)上进行了计算,与实验结果显示出很好的一致性。

更新日期:2021-03-02
down
wechat
bug