An Algorithm for Computing Screened Coulomb Scattering in Geant4

弱耦合与中等耦合等离子体中屏蔽库仑碰撞的双体碰撞方法

A Binary Collision Method for Screened Coulomb Collisions in weakly and moderately coupled Plasmas

本文针对弱耦合与中等耦合等离子体的屏蔽库仑碰撞问题，提出一种双体配对蒙特卡罗碰撞方法，可模拟福克-普朗克碰撞算子并在小时间步长下简化为标准方法，仅需10行代码即可集成至现有双体方法。

Ferroelectric Instability under Screened Coulomb Interactions

We explore the effect of charge carrier doping on ferroelectricity using density functional calculations and phenomenological modeling. By considering a prototypical ferroelectric material, BaTiO3, we demonstrate that ferroelectric displacements are sustained up to the critical concentration of 0.11 electron per unit cell volume. This result is consistent with experimental observations and reveals that the ferroelectric phase and conductivity can coexist. Our investigations show that the ferroelectric instability requires only a short-range portion of the Coulomb force with an interaction rang…

Nonconventional screening of the Coulomb interaction in FexOy clusters: An ab-initio study

From microscopic point-dipole model calculations of the screening of the Coulomb interaction in non-polar systems by polarizable atoms, it is known that screening strongly depends on dimensionality. For example, in one dimensional systems the short range interaction is screened, while the long range interaction is anti-screened. This anti-screening is also observed in some zero dimensional structures, i.e. molecular systems. By means of ab-initio calculations in conjunction with the random-phase approximation (RPA) within the FLAPW method we study screening of the Coulomb interaction in FexOy …

电荷歧化绝缘体 CaFeO$_3$ 的屏蔽库仑相互作用参数计算

Calculation of screened Coulomb interaction parameters for the charge-disproportionated insulator CaFeO$_3$

本文利用 cRPA 计算 CaFeO$_3$ 的屏蔽电子相互作用，发现 $U$ 被强烈屏蔽而 $J$ 屏蔽较弱并支撑电荷歧化绝缘态，同时检验 DFT+$U$ 参数化假设及 cRPA 直接应用的局限。

A quantum embedding theory in the screened Coulomb interaction: Combining configuration interaction with GW/BSE

We present a new quantum embedding theory called dynamical configuration interaction (DCI) that combines wave function and Green's function theories. DCI captures static correlation in a correlated subspace with configuration interaction and couples to high-energy, dynamic correlation outside the subspace with many-body perturbation theory based on Green's functions. In the correlated subspace, we use a wave function description to avoid embedding the two-particle vertex, which greatly simplifies the frequency structure of the embedding. DCI takes the strengths of both theories to balance stat…

Scattering of Two Spinless Particles in 3D Formulation with Coulomb Admixtures

Scattering of two spinless charge particles for simple forces including coulomb admixtures is calculated without partial wave decomposition. The coulomb interaction being taken is of the type of screened coulomb potential. For the forces range are not infinite, the standard scattering theory is applied. The differential and total cross section is calculated and coulomb effects are shown.