Observation of Geometric Phase in a Molecular Aharonov-Bohm System Using IBM Quantum Computer

TL;DR

This paper demonstrates how to evaluate the geometric phase in a molecular Aharonov-Bohm system using an IBM quantum computer, extending the concept to complex molecular Hamiltonians.

Contribution

It proposes a quantum computing scheme to evaluate the geometric phase in molecular systems, building on Longuet-Higgins' work, and suggests methods for more complex molecular Hamiltonians.

Findings

Successfully evaluated the geometric phase on a quantum computer.

Proposed a scalable method for complex molecular Hamiltonians.

Extended the understanding of the Molecular Aharonov-Bohm effect.

Abstract

The evolution of a quantum system is governed by the associated Hamiltonian. A system defined by a parameter-dependent Hamiltonian acquires a geometric phase when adiabatically evolved. Such an adiabatic evolution of a system having non-degenerate quantum states gives the well-studied Berry phase. Lounguet-Higgins and co-workers discovered a geometric phase when considering the Jahn-Teller distortion described by the nuclear coordinates traversing a closed path about the point of intersection of the electronic potential energy surfaces. Under such a condition, the Born-Oppenheimer wave function undergoes a sign change corresponding to an introduced global phase of $\pi$ radian. This change further introduces a multiple valuedness in the wavefunction which may be removed by adding a vector potential like term in the Hamiltonian for the nuclear motion giving the Molecular Aharonov Bohm effect. Here, we demonstrate a scheme to evaluate the introduced global phase for the molecular system considered by Longuet-Higgins and propose methods as the first principle to do the same in more complex examples for the molecular Hamiltonian on a quantum computer.