Bibliographic Details
| Title: |
Simulating the Electronic Structure of Spin Defects on Quantum Computers |
| Authors: |
Benchen Huang, Marco Govoni, Giulia Galli |
| Source: |
PRX Quantum, Vol 3, Iss 1, p 010339 (2022) |
| Publisher Information: |
American Physical Society, 2022. |
| Publication Year: |
2022 |
| Collection: |
LCC:Physics
LCC:Computer software |
| Subject Terms: |
Physics, QC1-999, Computer software, QA76.75-76.765 |
| More Details: |
We present calculations of both the ground- and excited-state energies of spin defects in solids carried out on a quantum computer, using a hybrid classical-quantum protocol. We focus on the negatively charged nitrogen-vacancy center in diamond and on the double vacancy in 4H SiC, which are of interest for the realization of quantum technologies. We employ a recently developed first-principles quantum embedding theory to describe point defects embedded in a periodic crystal and to derive an effective Hamiltonian, which is then transformed to a qubit Hamiltonian by means of a parity transformation. We use the variational quantum eigensolver (VQE) and quantum subspace expansion methods to obtain the ground and excited states of spin qubits, respectively, and we propose a promising strategy for noise mitigation. We show that by combining zero-noise extrapolation techniques and constraints on electron occupation to overcome the unphysical-state problem of the VQE algorithm, one can obtain reasonably accurate results on near-term-noisy architectures for ground- and excited-state properties of spin defects. |
| Document Type: |
article |
| File Description: |
electronic resource |
| Language: |
English |
| ISSN: |
2691-3399 |
| Relation: |
https://doaj.org/toc/2691-3399 |
| DOI: |
10.1103/PRXQuantum.3.010339 |
| Access URL: |
https://doaj.org/article/5fb01681a0c04e18add81437ad51daf5 |
| Accession Number: |
edsdoj.5fb01681a0c04e18add81437ad51daf5 |
| Database: |
Directory of Open Access Journals |
