Dissipative quantum algorithms for excited-state quantum chemistry

Quantum Physics arXiv:2512.19870 (quant-ph) [Submitted on 22 Dec 2025] Title:Dissipative quantum algorithms for excited-state quantum chemistry Authors:Hao-En Li, Lin Lin View a PDF of the paper titled Dissipative quantum algorithms for excited-state quantum chemistry, by Hao-En Li and Lin Lin View PDF HTML (experimental) Abstract:Electronic excited states are central to a vast array of physical and chemical phenomena, yet accurate and efficient methods for preparing them on quantum devices remain challenging and comparatively underexplored. We introduce a general dissipative algorithm for selectively preparing ab initio electronic excited states. The key idea is to recast excited-state preparation as an effective ground-state problem by suitably modifying the underlying Lindblad dynamics so that the target excited state becomes the unique steady state of a designed quantum channel. We develop three complementary strategies, tailored to different types of prior information about the excited state, such as symmetry and approximate energy. We demonstrate the effectiveness and versatility of these schemes through numerical simulations of atomic and molecular spectra, including valence excitations in prototypical planar conjugated molecules and transition-metal complexes. Taken together, these results provide a new pathway for advancing quantum simulation methods for realistic strongly correlated electronic systems. Comments: Subjects: Quantum Physics (quant-ph); Chemical Physics (physics.chem-ph) Cite as: arXiv:2512.19870 [quant-ph] (or arXiv:2512.19870v1 [quant-ph] for this version) https://doi.org/10.48550/arXiv.2512.19870 Focus to learn more arXiv-issued DOI via DataCite (pending registration) Submission history From: Haoen Li [view email] [v1] Mon, 22 Dec 2025 20:55:09 UTC (8,557 KB) Full-text links: Access Paper: View a PDF of the paper titled Dissipative quantum algorithms for excited-state quantum chemistry, by Hao-En Li and Lin LinView PDFHTML (experimental)TeX Source view license Current browse context: quant-ph new | recent | 2025-12 Change to browse by: 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?)