Which Options Exist for NISQ-Friendly Linear Response Formulations?


Journal

Journal of chemical theory and computation
ISSN: 1549-9626
Titre abrégé: J Chem Theory Comput
Pays: United States
ID NLM: 101232704

Informations de publication

Date de publication:
25 Apr 2024
Historique:
medline: 25 4 2024
pubmed: 25 4 2024
entrez: 25 4 2024
Statut: aheadofprint

Résumé

Linear response (LR) theory is a powerful tool in classic quantum chemistry crucial to understanding photoinduced processes in chemistry and biology. However, performing simulations for large systems and in the case of strong electron correlation remains challenging. Quantum computers are poised to facilitate the simulation of such systems, and recently, a quantum linear response formulation (qLR) was introduced [Kumar et al.,

Identifiants

pubmed: 38662999
doi: 10.1021/acs.jctc.3c01402
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Auteurs

Karl Michael Ziems (KM)

Department of Chemistry, Technical University of Denmark, Kemitorvet Building 207, DK-2800 Kongens Lyngby, Denmark.

Erik Rosendahl Kjellgren (ER)

Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark.

Peter Reinholdt (P)

Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark.

Phillip W K Jensen (PWK)

Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen, Denmark.

Stephan P A Sauer (SPA)

Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen, Denmark.

Jacob Kongsted (J)

Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark.

Sonia Coriani (S)

Department of Chemistry, Technical University of Denmark, Kemitorvet Building 207, DK-2800 Kongens Lyngby, Denmark.

Classifications MeSH