A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dots

Abstract

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