mriselMagnetic Resonance in SolidsMagnetic Resonance in Solids2072-5981Kazan Federal University10.26907/mrsej-23204mrisel-25Research ArticleСтатьиQuantum computation of the lowest-energy Kramers states and magnetic g-factors of rare earth ions in crystalsMakushinK. M.

Kremlevskaya 18, Kazan 420008

llconstantinel@gmail.comBaibekovE. I.

Kremlevskaya 18, Kazan 420008

Kazan Federal UniversityRussian Federation20231212202325223204(11 pp.)Copyright © Makushin K.M., Baibekov E.I., 20232023Makushin K.M., Baibekov E.I.Makushin K.M., Baibekov E.I.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://www.mrsej.ru/jour/article/view/25

We present the results of the quantum calculation of the ground state energies and magnetic g-factors of two rare earth (RE) ions: Yb3+ in Y2Ti2O7 crystal and Er3+ in YPO4 crystal. The Variational Quantum Eigensolver (VQE) algorithm has been performed on 5-qubit IBM superconducting quantum computers via IBM Quantum Experience cloud access. The Hamiltonian of the lowest spectroscopic multiplet of each RE ion, containing crystal field and Zeeman interaction, has been projected onto the collective states of three (Yb3+) and four (Er3+) coupled transmon qubits. The lowest-energy states of RE ions have been found by minimizing the mean energy in ∼ 250 - 350 iterations of the algorithm: the first part was performed on a quantum simulator, and the last 25 iterations were conducted on the real quantum computing hardware. All the calculated ground-state energies and magnetic g-factors agree well with their exact values, while the estimated error of 2÷15% is mostly attributed to the decoherence associated with the two-qubit operations

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The authors declare that there are no conflicts of interest present.