Average-atom model combined with the hypernetted chain approximation applied to warm dense matter

作者：Hou, Yong^*; Bredow, Richard; Yuan, Jianmin; Redmer, Ronald

来源：Physical Review E, 2015, 91(3): 033114.

DOI：10.1103/PhysRevE.91.033114

• Average-atom model
• Electronic density distribution
• Gordon-Kim models
• Hypernetted chain approximations
• Integral equation methods
• Random phase approximations
• Warm dense matters
• X ray Thomson scattering

We have combined the average-atom model with the hypernetted chain approximation (AAHNC) to describe the electronic and ionic structure in the warm dense matter regime. On the basis of the electronic and ionic structures, the x-ray Thomson scattering (XRTS) spectrum is calculated using the random-phase approximation. While the electronic structure is described within the average-atom model, the effects of other ions on the electronic structure are considered using an integral equation method of the theory of liquids, namely the hypernetted chain approximation. The ion-ion pair potential is calculated using the modified Gordon-Kim model based on the electronic density distribution. Finally, the electronic and ionic structures are determined self-consistently. The XRTS spectrum is calculated according to the Chihara formula, where the scattering contributions are divided into three components: elastic, bound-free, and free-free. Comparison of the present AAHNC results with other theoretical models and experimental data shows very good agreement. Thus the AAHNC model can give a reasonable description of the electronic and ionic structure in warm dense matter.

• 出版日期2015-3-31
• 单位中国人民解放军国防科学技术大学; 上海交通大学