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

DOI10.1016/J.CPC.2020.107782MaRDI QIDQ6101385zbMATH OpenOpenAlexFDO

Authors Josep Planelles, Juan I. Climente

Publication date 31 May 2023

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2009.09662

zbMATH Keywords

excitonk.p theorynanoplateletquantum dottrionvariational quantum Monte Carlo

Mathematics Subject Classification ID

Quantum theory (81-XX) Statistical mechanics, structure of matter (82-XX)

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.

Cites work

• On the eigenfunctions of many-particle systems in quantum mechanics

Cited in

(2)

• Variational methods for calculating exciton binding energies in quantum well structures
• CHALLENGES IN APPLICATION OF A MONTE CARLO METHOD TO STUDY AN EXCITON CONFINED IN AlGaAs/GaAs SINGLE QUANTUM WELL

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