Ab initio approach to model x-ray diffraction in warm dense matter.

摘要: It is demonstrated how the static electron-electron structure factor in warm dense matter can be obtained from density functional theory combination with quantum Monte Carlo data. In contrast to theories assuming well-separated bound and free states, this ab initio approach yields also valid results for systems close Mott transition (pressure ionization), where states are strongly modified merge continuum. The applied x-ray Thomson scattering compared predictions of Chihara formula whereby we use ion-ion electron-ion same simulations. show significant deviations screening cloud often Debye-like form.