Quantum circuit for non-unitary linear transformation of basis sets

This paper presents a novel approach for implementing non-unitary basis transformations on quantum computational platforms, extending beyond conventional unitary methods. By integrating Singular Value Decomposition (SVD), the method achieves operational depth O(n) with about n ancilla qubits, enhancing the analysis of fermionic systems. The non-unitary transformation enables mapping a wavefunction between different bases, allowing the calculation of overlaps of states residing in distinct Hilbert subspaces. This capability supports the use of state-specific ansatzes to compute multiple energy eigenstates under orbital-optimized settings, potentially improving accuracy in variational quantum eigensolver (VQE) and related frameworks. Overall, the method expands the range of accessible quantum states and phenomena, offering new opportunities for applying quantum computing in physics and chemistry.

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Publication Details

Journal
npj Quantum Information
Published
2025-11-25
DOI
https://doi.org/10.1038/s41534-025-01145-3
Primary Topic
Quantum Computing Algorithms and Architecture
Type
article
Field-Weighted Citation Impact
0.00

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article

Quantum circuit for non-unitary linear transformation of basis sets

Jianfeng Lu, Joel Bierman, Guorui Zhu, Yingzhou Li
npj Quantum Information
Quantum Computing Algorithms and Architecture
article

Quantum circuit for non-unitary linear transformation of basis sets

Jianfeng Lu, Joel Bierman, Guorui Zhu, Yingzhou Li
article en

Abstract

This paper presents a novel approach for implementing non-unitary basis transformations on quantum computational platforms, extending beyond conventional unitary methods. By integrating Singular Value Decomposition (SVD), the method achieves operational depth O(n) with about n ancilla qubits, enhancing the analysis of fermionic systems. The non-unitary transformation enables mapping a wavefunction between different bases, allowing the calculation of overlaps of states residing in distinct Hilbert subspaces. This capability supports the use of state-specific ansatzes to compute multiple energy eigenstates under orbital-optimized settings, potentially improving accuracy in variational quantum eigensolver (VQE) and related frameworks. Overall, the method expands the range of accessible quantum states and phenomena, offering new opportunities for applying quantum computing in physics and chemistry.

npj Quantum InformationVol. 11(1)
Ministry of Education of the People's Republic of China (CN), Duke University (US), Fudan University (CN)
National Science Foundation, National Natural Science Foundation of China, Fudan University, Division of Chemistry
Openalex Percentile: Top 81%
Quantum Computing Algorithms and Architecture
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