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Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits.

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Bibliographic Details
Title: Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits.
Authors: Kumar A; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Asthana A; Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States., Masteran C; Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States., Valeev EF; Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States., Zhang Y; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Cincio L; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Tretiak S; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.; Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Dub PA; Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
Source: Journal of chemical theory and computation [J Chem Theory Comput] 2022 Sep 13; Vol. 18 (9), pp. 5312-5324. Date of Electronic Publication: 2022 Aug 19.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1549-9626
DOI:10.1021/acs.jctc.2c00520