Calculation of the moscovium ground-state energy by quantum algorithms

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.

29 pages, 5 figures

References in corpus (13)

• Variational Quantum Algorithms
• Noisy intermediate-scale quantum (NISQ) algorithms
• General parameter-shift rules for quantum gradients
• Scalable mitigation of measurement errors on quantum computers
• Effect of barren plateaus on gradient-free optimization
• Exact Parameterization of Fermionic Wave Functions via Unitary Coupled Cluster Theory
• Is the Trotterized UCCSD Ansatz chemically well-defined?
• Generalized quantum circuit differentiation rules
• Microcanonical and finite temperature ab initio molecular dynamics simulations on quantum computers
• Scattering in the Ising Model Using Quantum Lanczos Algorithm
• Electron affinity of oganesson
• Ionization potentials and electron affinities of Rg, Cn, Nh, and Fl superheavy elements
• Quantum circuits for the preparation of spin eigenfunctions on quantum computers

Cited by in corpus (1)

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