Accuracy and resource advantages of quantum eigenvalue estimation with non-Hermitian transcorrelated electronic Hamiltonians

Quantum Physics arXiv:2511.21867 (quant-ph) [Submitted on 26 Nov 2025] Title:Accuracy and resource advantages of quantum eigenvalue estimation with non-Hermitian transcorrelated electronic Hamiltonians Authors:Alexey Uvarov, Artur F. Izmaylov View a PDF of the paper titled Accuracy and resource advantages of quantum eigenvalue estimation with non-Hermitian transcorrelated electronic Hamiltonians, by Alexey Uvarov and 1 other authors View PDF HTML (experimental) Abstract:In electronic structure calculations, the transcorrelated method enables a reduction of the basis set size by incorporating the electron-electron correlations directly into the Hamiltonian. However, the transcorrelated Hamiltonian is non-Hermitian, which makes many common quantum algorithms inapplicable. Recently, a quantum eigenvalue estimation algorithm was proposed for non-Hermitian Hamiltonians with real spectra [FOCS 65, 1051 (2024)]. Here we investigate the cost of this algorithm applied to transcorrelated electronic Hamiltonians of second-row atoms and compare it to the cost of applying standard qubitization to non-transcorrelated Hamiltonians. We find that the ground state energy of the transcorrelated Hamiltonian in the STO-6G basis is more accurate than that of a standard Hamiltonian in the cc-pVQZ basis. The T gate counts of the two methods are comparable, while the qubit count of the transcorrelated method is 2.5 times smaller. Comments: Subjects: Quantum Physics (quant-ph); Data Structures and Algorithms (cs.DS); Chemical Physics (physics.chem-ph) Cite as: arXiv:2511.21867 [quant-ph] (or arXiv:2511.21867v1 [quant-ph] for this version) https://doi.org/10.48550/arXiv.2511.21867 Focus to learn more arXiv-issued DOI via DataCite (pending registration) Submission history From: Alexey Uvarov [view email] [v1] Wed, 26 Nov 2025 19:48:11 UTC (23 KB) Full-text links: Access Paper: View a PDF of the paper titled Accuracy and resource advantages of quantum eigenvalue estimation with non-Hermitian transcorrelated electronic Hamiltonians, by Alexey Uvarov and 1 other authorsView PDFHTML (experimental)TeX Source view license Current browse context: quant-ph new | recent | 2025-11 Change to browse by: cs cs.DS physics physics.chem-ph References & Citations INSPIRE HEP NASA ADSGoogle Scholar Semantic Scholar export BibTeX citation Loading... BibTeX formatted citation × loading... Data provided by: Bookmark Bibliographic Tools Bibliographic and Citation Tools Bibliographic Explorer Toggle Bibliographic Explorer (What is the Explorer?) Connected Papers Toggle Connected Papers (What is Connected Papers?) Litmaps Toggle Litmaps (What is Litmaps?) scite.ai Toggle scite Smart Citations (What are Smart Citations?) Code, Data, Media Code, Data and Media Associated with this Article alphaXiv Toggle alphaXiv (What is alphaXiv?) Links to Code Toggle CatalyzeX Code Finder for Papers (What is CatalyzeX?) DagsHub Toggle DagsHub (What is DagsHub?) GotitPub Toggle Gotit.pub (What is GotitPub?) Huggingface Toggle Hugging Face (What is Huggingface?) Links to Code Toggle Papers with Code (What is Papers with Code?) ScienceCast Toggle ScienceCast (What is ScienceCast?) Demos Demos Replicate Toggle Replicate (What is Replicate?) Spaces Toggle Hugging Face Spaces (What is Spaces?) Spaces Toggle TXYZ.AI (What is TXYZ.AI?) Related Papers Recommenders and Search Tools Link to Influence Flower Influence Flower (What are Influence Flowers?) Core recommender toggle CORE Recommender (What is CORE?) Author Venue Institution Topic About arXivLabs arXivLabs: experimental projects with community collaborators arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them. Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs. Which authors of this paper are endorsers? | Disable MathJax (What is MathJax?)