High-precision real-space simulation of electrostatically-confined few-electron states

TL;DR

This paper introduces a high-precision real-space computational method using FCI and adaptive orbitals to accurately simulate electrostatically confined few-electron states in quantum dots, providing a new benchmark for comparison.

Contribution

The paper presents a novel real-space simulation approach with adaptive orbitals and a benchmark problem for quantum dot electron states, enhancing accuracy and reproducibility.

Findings

Achieved highly precise energy calculations for quantum dot systems.

Developed a benchmark problem for validating computational methods.

Demonstrated the method's robustness across various parameters.

Abstract

In this paper we present a computational procedure that utilizes real-space grids to obtain high precision approximations of electrostatically confined few-electron states such as those that arise in gated semiconductor quantum dots. We use the Full Configuration Interaction (FCI) method with a continuously adapted orthonormal orbital basis to approximate the ground and excited states of such systems. We also introduce a benchmark problem based on a realistic analytical electrostatic potential for quantum dot devices. We show that our approach leads to highly precise computed energies and energy differences over a wide range of model parameters. The analytic definition of the benchmark allows for a collection of tests that are easily replicated, thus facilitating comparisons with other computational approaches.