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Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations

[Image: see text] The present work is the second part in our three-part series on the comparison of many-particle representations for the selected configuration interaction (CI) method. In this work, we present benchmark calculations based on our selected CI program called the iterative configuratio...

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Detalles Bibliográficos
Autores principales: Chilkuri, Vijay Gopal, Neese, Frank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8279407/
https://www.ncbi.nlm.nih.gov/pubmed/33886300
http://dx.doi.org/10.1021/acs.jctc.1c00081