Coupled cluster theory for the ground and excited states of two dimensional quantum dots
arXiv:2111.06203 · doi:10.1103/PhysRevB.105.115111
Abstract
We present a study of the two dimensional circular quantum dot model Hamiltonian using a range of quantum chemical ab initio methods. Ground and excited state energies are computed on different levels of perturbation theories including the coupled cluster method. We outline a scheme to compute the required Coulomb integrals in real space and utilize a semi-analytic solution to the integral over the Coulomb kernel in the vicinity of the singularity. Furthermore, we show that the remaining basis set incompleteness error for two dimensional quantum dots scales with the inverse number of virtual orbitals, allowing us to extrapolate to the complete basis set limit energy. By varying the harmonic potential parameter we tune the correlation strength and investigate the predicted ground and excited state energies.
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