Tampere University of Technology

TUTCRIS Research Portal

Path integral Monte Carlo benchmarks for two-dimensional quantum dots

Research output: Contribution to journalArticleScientificpeer-review

Standard

Path integral Monte Carlo benchmarks for two-dimensional quantum dots. / Kylänpää, Ilkka; Räsänen, Esa.

In: Physical Review B, Vol. 96, No. 20, 205445, 30.11.2017.

Research output: Contribution to journalArticleScientificpeer-review

Harvard

APA

Vancouver

Author

Bibtex - Download

@article{6d527946143e4ddc885236a4a6f07486,
title = "Path integral Monte Carlo benchmarks for two-dimensional quantum dots",
abstract = "We report numerically accurate path integral Monte Carlo results for harmonically confined two-dimensional quantum dots containing up to N=60 interacting electrons. The finite-temperature values are extrapolated to 0 K and zero time step in order to provide precise upper-bound energies. The ground-state energies are compared against coupled-cluster and diffusion Monte Carlo results available in the literature for N≤20. We also provide Pad{\'e} fits for the energies as a function of N for different strengths of the confining potential. The fits deviate less than 0.25{\%} from the path integral Monte Carlo data. Overall, our upper-bound estimates for the ground-state energies have lower values than previous diffusion Monte Carlo benchmarks due to the accurate nodal surface in our simulations. Hence, our results set a new numerical benchmark for two-dimensional (spin-unpolarized) quantum dots up to a large number of electrons.",
author = "Ilkka Kyl{\"a}np{\"a}{\"a} and Esa R{\"a}s{\"a}nen",
year = "2017",
month = "11",
day = "30",
doi = "10.1103/PhysRevB.96.205445",
language = "English",
volume = "96",
journal = "Physical Review B",
issn = "1098-0121",
publisher = "AMER PHYSICAL SOC",
number = "20",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Path integral Monte Carlo benchmarks for two-dimensional quantum dots

AU - Kylänpää, Ilkka

AU - Räsänen, Esa

PY - 2017/11/30

Y1 - 2017/11/30

N2 - We report numerically accurate path integral Monte Carlo results for harmonically confined two-dimensional quantum dots containing up to N=60 interacting electrons. The finite-temperature values are extrapolated to 0 K and zero time step in order to provide precise upper-bound energies. The ground-state energies are compared against coupled-cluster and diffusion Monte Carlo results available in the literature for N≤20. We also provide Padé fits for the energies as a function of N for different strengths of the confining potential. The fits deviate less than 0.25% from the path integral Monte Carlo data. Overall, our upper-bound estimates for the ground-state energies have lower values than previous diffusion Monte Carlo benchmarks due to the accurate nodal surface in our simulations. Hence, our results set a new numerical benchmark for two-dimensional (spin-unpolarized) quantum dots up to a large number of electrons.

AB - We report numerically accurate path integral Monte Carlo results for harmonically confined two-dimensional quantum dots containing up to N=60 interacting electrons. The finite-temperature values are extrapolated to 0 K and zero time step in order to provide precise upper-bound energies. The ground-state energies are compared against coupled-cluster and diffusion Monte Carlo results available in the literature for N≤20. We also provide Padé fits for the energies as a function of N for different strengths of the confining potential. The fits deviate less than 0.25% from the path integral Monte Carlo data. Overall, our upper-bound estimates for the ground-state energies have lower values than previous diffusion Monte Carlo benchmarks due to the accurate nodal surface in our simulations. Hence, our results set a new numerical benchmark for two-dimensional (spin-unpolarized) quantum dots up to a large number of electrons.

U2 - 10.1103/PhysRevB.96.205445

DO - 10.1103/PhysRevB.96.205445

M3 - Article

VL - 96

JO - Physical Review B

JF - Physical Review B

SN - 1098-0121

IS - 20

M1 - 205445

ER -