A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dots
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INVESTIGACIONMetadatos
Título
A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dotsFecha de publicación
2021Editor
ElsevierISSN
0010-4655Cita bibliográfica
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: 107782Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
https://www.sciencedirect.com/science/article/pii/S0010465520303866#!Versión
info:eu-repo/semantics/submittedVersionPalabras clave / Materias
Resumen
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 [-]
Publicado en
Computer Physics Communications, 2021, 261: 107782Entidad financiadora
Ministerio de Ciencia e Innovación de España | Universitat Jaume I
Código del proyecto o subvención
CTQ2017-83781-P | B2017-59
Derechos de acceso
©2020ElsevierB.V.Allrightsreserved
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info:eu-repo/semantics/openAccess
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info:eu-repo/semantics/openAccess
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