Boni Paul | Searcharxiv

arXiv2026

Applications of quantum annealing to magnetic dipole hyperfine structure constants: First results beyond energies for atoms

We report the first results of the magnetic dipole hyperfine structure (HFS) constants of neutral $\mathrm{Li}$, Li-like $\mathrm{Be}$, neutral $\mathrm{Na}$, and Na-like $\mathrm{Mg}$ using a modified version of the Quantum Annealer Eigensolver (QAE) algorithm on D-Wave's quantum hardware. The results are benchmarked against relativistic configuration interaction with multiconfiguration Dirac Hartree-Fock (MCDHF) calculations using the General-purpose Relativistic Atomic Structure Package (GRASP), and simulated annealing. In our modified QAE, a zooming-and-sigma-annealing approach with a floating-point encoding scheme is adopted to estimate the ground-state eigenvalue and eigenvector of the relativistic Dirac-Coulomb Hamiltonian matrices ($H_{\mathrm{DC}}$) constructed from 11 or fewer configuration state functions (CSFs). For calculations with extended correlation orbital sets, we applied a CSF truncation scheme, retaining only CSFs (up to 12) that make significant contributions to the ground-state wavefunction. Our modified QAE precision is kept limited to three decimal places (up to 10 qubits). Hardware demonstrations on the D-Wave quantum processing unit (QPU) yielded results that were completely consistent with GRASP (at the chosen precision) in determining the magnetic dipole HFS constants, with accuracy varying across systems and $H_{\mathrm{DC}}$ matrix dimensions.

quant-ph↗

arXiv2025

Applications of the Quantum Phase Difference Estimation Algorithm to the Excitation Energies in Spin Systems on a NISQ Device

The Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two eigenvalues of a unitary operator by exploiting the quantum superposition of two eigenstates. Unlike QPE, QPDE is free of controlled-unitary operations, and is suitable for calculations on noisy intermediate-scale quantum (NISQ) devices. We present the implementation and verification of a novel early fault-tolerant QPDE algorithm for determining energy gaps across diverse spin system configurations using NISQ devices. The algorithm is applied to the systems described by two and three-spin Heisenberg Hamiltonians with different geometric arrangements and coupling strengths, including symmetric, asymmetric, spin-frustrated, and non-frustrated configurations. By leveraging the match gate-like structure of the time evolution operator of Heisenberg Hamiltonian, we achieve constant-depth quantum circuits suitable for NISQ hardware implementation. Our results on IBM quantum processors show remarkable accuracy ranging from 85\% to 93\%, demonstrating excellent agreement with classical calculations even in the presence of hardware noise. The methodology incorporates sophisticated quantum noise suppression techniques, including Pauli Twirling and Dynamical Decoupling, and employs an adaptive framework. Our findings demonstrate the practical viability of the QPDE algorithm for quantum many-body simulations on current NISQ hardware, establishing a robust framework for future applications.

quant-ph↗