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Benchmarks for Electronically Excited States with CASSCF Methods

[Image: see text] The accuracy of three different complete active space (CAS) self-consistent field (CASSCF) methods is investigated for the electronically excited-state benchmark set of M. Schreiber; et al. J. Chem. Phys.2008, 128, 13411018397056. Comparison of the CASSCF linear response (LR) metho...

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Detalles Bibliográficos
Autor principal:	Helmich-Paris, Benjamin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6620717/ https://www.ncbi.nlm.nih.gov/pubmed/31136706 http://dx.doi.org/10.1021/acs.jctc.9b00325

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