Work

Beyond real: alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers

Year: 2025

Type: article

Abstract: Im-uCJ and g-uCJ ansätze extend orbital rotations into complex space. Implemented exactly via generalized Givens rotations, these ansätze achieve higher accuracy and more robust optimization than the currently available Re-uCJ.

Source: Chemical Science

DOI: 10.1039/d5sc03585f

Authors: Nikolay V. Tkachenko, Hang Ren, Wendy M. Billings, Rebecca Tomann, K. Birgitta Whaley, Martin Head-Gordon

Institutions: Lawrence Berkeley National Laboratory, University of Oklahoma, University of California, Berkeley

Language: English

Topic: Quantum Computing Algorithms and Architecture

Subfield: Artificial Intelligence

Field: Computer Science

Domain: Physical Sciences

Open Access status: diamond

Funders: National Science Foundation, U.S. Department of Energy, Dow Chemical Company, University of Oklahoma, Office of Science, Supercomputing Center for Education and Research, University of Oklahoma, Advanced Scientific Computing Research

Awards: G2368574572, QLCI-CI: NSF Quantum Leap Challenge Institute for Present and Future Quantum Computing, Graduate Research Fellowship Program (GRFP), G8751405378

OpenAlex ID: W4415936990

FWCI: 0.831

Cites: 84

Cited by: 2

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