Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits-Reference-Cited by-同舟云学术

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

Published:2022-08-19 Issue:9 Volume:18 Page:5312-5324
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kumar Ashutosh¹^ORCID,Asthana Ayush²^ORCID,Masteran Conner²,Valeev Edward F.²^ORCID,Zhang Yu¹^ORCID,Cincio Lukasz¹,Tretiak Sergei¹³^ORCID,Dub Pavel A.⁴^ORCID

Affiliation:

1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

2. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States

3. Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

4. Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

Funder

Laboratory Directed Research and Development

Office of Science

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00520

Reference83 articles.

1. Simulating physics with computers

2. Quantum Algorithm Providing Exponential Speed Increase for Finding Eigenvalues and Eigenvectors

3. Simulated Quantum Computation of Molecular Energies

4. A Quantum Adiabatic Evolution Algorithm Applied to Random Instances of an NP-Complete Problem

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