标题： 使用显式相关两粒子累积量测定CdSe量子点中的电子-空穴关联长度 显示英文标题

标题： Determination of electron-hole correlation length in CdSe quantum dots using explicitly correlated two-particle cumulant

摘要： 电子-空穴关联长度作为分析半导体纳米颗粒中激子相互作用的本征长度尺度。 在本工作中，使用双粒子约化密度推导了电子-空穴关联长度。 关联长度是通过首先从对密度计算电子-空穴累积量，然后将累积量转换为内坐标，最后对累积量的径向积分施加精确的求和规则条件得到的。 用于计算的激子波函数是通过电子-空穴显式相关哈特里-福克方法变分得到的。 因此，对密度和累积量都是电子-空穴分离距离的显式函数。 使用显式相关的波函数和积分求和规则条件是该推导的两个关键特征。 该方法被应用于一系列直径为1-20 nm的CdSe量子点，并分析了量子点尺寸对关联长度的影响。 显示英文摘要

摘要： The electron-hole correlation length serves as an intrinsic length scale for analyzing excitonic interactions in semiconductor nanoparticles. In this work, the derivation of electron-hole correlation length using the two-particle reduced density is presented. The correlation length was obtained by first calculating the electron-hole cumulant from the pair density,and then transforming the cumulant into intracular coordinates, and finally then imposing exact sum-rule conditions on the radial integral of the cumulant. The excitonic wave function for the calculation was obtained variationally using the electron-hole explicitly correlated Hartree-Fock method. As a consequence, both the pair density and the cumulant were explicit functions of the electron-hole separation distance. The use of explicitly correlated wave function and the integral sum-rule condition are the two key features of this derivation. The method was applied to a series of CdSe quantum dots with diameters 1-20 nm and the effect of dot size on the correlation length was analyzed.