论文标题
一种简单的量子蒙特卡洛有效的质量质量方法，用于量子点和量子点
A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dots
论文作者
论文摘要
提出了一个计算模型，以计算限制在半导体量子点中的中性和带电激素的基态能量。该模型基于变异量子蒙特卡洛法和有效的大型汉密尔顿人。通过迭代的牛顿 - 拉普森工艺，可以在标准台式计算机中获得对局部步行者的局部能量和（可选）并行化的（可选）并行化，可以在标准台式计算机中获得快速准确的估计。 为了说明该模型的范围，我们为具有较大侧面尺寸和介电限制的胶体CDSE纳米片和胶体CDSE纳米片的说明性计算提供了说明性计算，其中电子相关性很强。结果与精确的变分计算很好地比较，并且在计算效率中的表现优于配置相互作用计算。
A computational model is presented to calculate the ground state energy of neutral and charged excitons confined in semiconductor quantum dots. The model is based on the variational Quantum Monte Carlo method and effective mass Hamiltonians. Through an iterative Newton-Rhapson process, minimizing the local energy, and (optional) parallelization of random walkers, fast and accurate estimates of both confinement and Coulomb binding energies can be obtained in standard desktop computers. To illustrate the reach of the model, we provide Fortran programs and illustrative calculations for colloidal CdSe nanoplatelets with large lateral dimensions and dielectric confinement, where electronic correlations are strong. The results compare well with exact variational calculations and largely outperform configuration interaction calculations in computational efficiency.
