A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dots
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Títol
A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dotsData de publicació
2021Editor
ElsevierISSN
0010-4655Cita bibliogràfica
PLANELLES, Josep; CLIMENTE, Juan I. A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dots. Computer Physics Communications, 2021, 261: 107782Tipus de document
info:eu-repo/semantics/articleVersió de l'editorial
https://www.sciencedirect.com/science/article/pii/S0010465520303866#!Versió
info:eu-repo/semantics/submittedVersionParaules clau / Matèries
Resum
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 ... [+]
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 [-]
Publicat a
Computer Physics Communications, 2021, 261: 107782Entitat finançadora
Ministerio de Ciencia e Innovación de España | Universitat Jaume I
Codi del projecte o subvenció
CTQ2017-83781-P | B2017-59
Drets d'accés
©2020ElsevierB.V.Allrightsreserved
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info:eu-repo/semantics/openAccess
http://rightsstatements.org/vocab/InC/1.0/
info:eu-repo/semantics/openAccess
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