An assessment of frozen natural orbitals and band gaps using equation of motion coupled cluster theory: a case study on polyacene and trans-polyacetylene

Fuente: arXiv

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Bibliographic Details
Main Authors:	Windom, Zachary W., Lam, AV, Perera, Ajith, Bartlett, Rodney J.
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2402.08776