Self-Consistent Field Approach for the Variational Quantum Eigensolver: Orbital Optimization Goes Adaptive-Reference-Cited by-同舟云学术

Self-Consistent Field Approach for the Variational Quantum Eigensolver: Orbital Optimization Goes Adaptive

Published:2024-03-28 Issue:14 Volume:128 Page:2843-2856
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Fitzpatrick Aaron¹²^ORCID,Nykänen Anton¹,Talarico N. Walter¹^ORCID,Lunghi Alessandro³^ORCID,Maniscalco Sabrina¹,García-Pérez Guillermo¹,Knecht Stefan¹⁴^ORCID

Affiliation:

1. Algorithmiq Ltd, Kanavakatu 3C, Helsinki FI-00160, Finland

2. Trinity Quantum Alliance, Unit 16, Trinity Technology and Enterprise Centre, Pearse Street, Dublin 2 D02 YN67, Ireland

3. School of Physics, AMBER and CRANN Institute, Trinity College, Dublin 2, Ireland

4. ETH Zürich, Department of Chemistry and Applied Life Sciences Vladimir-Prelog-Weg 1-5/10, Zürich 8093, Switzerland

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c05882

Reference105 articles.

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4. Roos, B. O.; Lindh, R.; Malmqvist, P.Å.; Veryazov, V.; Widmark, P.O. Multiconfigurational quantum chemistry,” in Multiconfigurational Quantum Chemistry; John Wiley & Sons, Inc., 2016, Chapter CASPT2/CASSCF Applications, pp 157–219.

5. Multiconfigurational quantum chemistry for ground and excited states

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