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Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations

[Image: see text] We present an implementation of equation-of-motion oscillator strengths for the multilevel CCSD (MLCCSD) model where CCS is used as the lower level method (CCS/CCSD). In this model, the double excitations of the cluster operator are restricted to an active orbital space, whereas th...

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Detalles Bibliográficos
Autores principales: Folkestad, Sarai Dery, Koch, Henrik
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8011930/
https://www.ncbi.nlm.nih.gov/pubmed/32955866
http://dx.doi.org/10.1021/acs.jctc.0c00707