Consistent Initial States with Constant Circuit Depth for Quantum Computational Chemistry
Abstract
Variational quantum eigensolvers have been extensively studied, yet there are still no methods that offer black-box applicability with consistent performance. Separable pair approximations promise to be candidates for such methods: they compile to shallow constant-depth quantum circuits with linear gate count and parameter dependence and circumvent most bottlenecks of variational quantum algorithms through their classical simulability. At the same time, they seamlessly integrate into prominent more general circuit designs and subspace strategies. So far, their capability as a consistent method has only been indicated and demonstrations have been restricted to manually designed model systems. In this work, we extensively evaluate the consistency of SPA states for hydrogen chains, alkanes, and small molecules within an orbital-optimized VQE framework. Our benchmarks demonstrate consistent approximations with classical complexity comparable to Hartree-Fock. While SPA can serve as a useful low-cost standalone approximation, its restriction to the seniority-zero subspace makes it best suited as a scalable, chemically consistent initial state for more expressive correlation treatments when high quantitative accuracy is required. Our open-source implementation within the \textsc{tequila} framework allows convenient use of the algorithms as a standalone method or as a subpart of more extensive procedures.
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BibTeX
@misc{barta2026consistent,
title = {{Consistent Initial States with Constant Circuit Depth for Quantum Computational Chemistry}},
author = {Lily Barta and Jakob S. Kottmann},
howpublished = {arXiv},
year = {2026},
month = nov,
doi = {10.48550/arxiv.2606.26393},
eprint = {2606.26393},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2606.26393},
}
RIS
TY - UNPB
TI - Consistent Initial States with Constant Circuit Depth for Quantum Computational Chemistry
AU - Lily Barta
AU - Jakob S. Kottmann
PY - 2026
DA - 2026/11/02
PB - arXiv
DO - 10.48550/arxiv.2606.26393
UR - https://arxiv.org/abs/2606.26393
AB - Variational quantum eigensolvers have been extensively studied, yet there are still no methods that offer black-box applicability with consistent performance. Separable pair approximations promise to be candidates for such methods: they compile to shallow constant-depth quantum circuits with linear gate count and parameter dependence and circumvent most bottlenecks of variational quantum algorithms through their classical simulability. At the same time, they seamlessly integrate into prominent more general circuit designs and subspace strategies. So far, their capability as a consistent method has only been indicated and demonstrations have been restricted to manually designed model systems. In this work, we extensively evaluate the consistency of SPA states for hydrogen chains, alkanes, and small molecules within an orbital-optimized VQE framework. Our benchmarks demonstrate consistent approximations with classical complexity comparable to Hartree-Fock. While SPA can serve as a useful low-cost standalone approximation, its restriction to the seniority-zero subspace makes it best suited as a scalable, chemically consistent initial state for more expressive correlation treatments when high quantitative accuracy is required. Our open-source implementation within the \textsc{tequila} framework allows convenient use of the algorithms as a standalone method or as a subpart of more extensive procedures.
ER -