Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver-Reference-Cited by-同舟云学术

Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver

Author:

Yalouz Saad¹^ORCID,Koridon Emiel²³,Senjean Bruno⁴,Lasorne Benjamin⁴^ORCID,Buda Francesco⁵^ORCID,Visscher Lucas²^ORCID

Affiliation:

1. Laboratoire de Chimie Quantique, Institut de Chimie, CNRS/Université de Strasbourg, 4 rue Blaise Pascal, Strasbourg, 67000, France

2. Theoretical Chemistry, Vrije Universiteit, De Boelelaan 1083, Amsterdam, NL-1081 HV, The Netherlands

3. Instituut-Lorentz, Universiteit Leiden, P.O. Box 9506, Leiden, 2300 RA, The Netherlands

4. CGM, Univ Montpellier, CNRS, ENSCM, Montpellier, 34070, France

5. Leiden Institute of Chemistry, Leiden University, Einsteinweg 55, P.O. Box 9502, Leiden, 2300 RA, The Netherlands

Funder

Agence Nationale de la Recherche

Shell Global Solutions International

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference85 articles.

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