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
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