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A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy

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Description scientific article published on May 28, 2013
Author/s

author: Dimitrios Maganas  Serena DeBeer  Michael Roemelt  Frank Neese 

Publication date May 1, 2013
Language English
Country of origin
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https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/1.4804607/13280319/204101_1_online.pdf

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