Ab initio computation of circular quantum dots

TL;DR

This paper demonstrates that combining coupled-cluster methods with a renormalized Coulomb interaction yields highly accurate ab initio energy calculations for circular quantum dots with up to 20 electrons, aligning well with diffusion Monte Carlo results.

Contribution

The study introduces a renormalized Coulomb interaction in coupled-cluster calculations, enabling accurate ab initio predictions for larger quantum dot systems.

Findings

Coupled-cluster with triples matches diffusion Monte Carlo energies.

Renormalized Coulomb interaction improves calculation accuracy.

Method scales to larger electron systems.

Abstract

We perform coupled-cluster and diffusion Monte Carlo calculations of the energies of circular quantum dots up to 20 electrons. The coupled-cluster calculations include triples corrections and a renormalized Coulomb interaction defined for a given number of low-lying oscillator shells. Using such a renormalized Coulomb interaction brings the coupled-cluster calculations with triples correlations in excellent agreement with the diffusion Monte Carlo calculations. This opens up perspectives for doing ab initio calculations for much larger systems of electrons.