Calculation of the moscovium ground-state energy by quantum algorithms

TL;DR

This paper explores quantum algorithms to compute the ground-state energy of moscovium, evaluating different ansatze and optimization methods to assess scalability and resource requirements.

Contribution

It demonstrates the application of iterative phase estimation and variational quantum eigensolver to a heavy atom, analyzing ansatz types, optimizers, and scalability aspects.

Findings

Variational quantum eigensolver successfully computes binding energies.

Different ansatze and optimizers affect scalability and accuracy.

Gate count estimates inform resource requirements for quantum calculations.

Abstract

We investigate the possibility to calculate the ground-state energy of the atomic systems on a quantum computer. For this purpose we evaluate the lowest binding energy of the moscovium atom with the use of the iterative phase estimation and variational quantum eigensolver. The calculations by the variational quantum eigensolver are performed with a disentangled unitary coupled cluster ansatz and with various types of hardware-efficient ansatze. The optimization is performed with the use of the Adam and Quantum Natural Gradients procedures. The scalability of the ansatze and optimizers is tested by increasing the size of the basis set and the number of active electrons. The number of gates required for the iterative phase estimation and variational quantum eigensolver is also estimated.