Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method-Reference-Cited by-同舟云学术

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Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method

Published:2024-05-09 Issue:10 Volume:20 Page:4146-4160
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Dobrautz Werner¹^ORCID,Sokolov Igor O.²^ORCID,Liao Ke³^ORCID,Ríos Pablo López³,Rahm Martin¹^ORCID,Alavi Ali³⁴^ORCID,Tavernelli Ivano²^ORCID

Affiliation:

1. Department of Chemistry and Chemical Engineering, Chalmers University of Technology, 41296 Gothenburg, Sweden

2. IBM Quantum, IBM Research Zurich, Säumerstrasse 4, 8803 Rüschlikon, Switzerland

3. Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart, Germany

4. Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, U.K.

Funder

HORIZON EUROPE

National Center of Competence in Research Materials' Revolution: Computational Design and Discovery of Novel Materials

Swedish research council

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00070

Reference164 articles.

1. Simulating physics with computers

2. The computer as a physical system: A microscopic quantum mechanical Hamiltonian model of computers as represented by Turing machines

3. Removal of Electron—Electron Poles from Many‐Electron Hamiltonians

4. A condition to remove the indeterminacy in interelectronic correlation functions

5. A calculation for the energies and wavefunctions for states of neon with full electronic correlation accuracy

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