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pro vyhledávání: '"Dr. Eduard Matito"'
Autor:
Dr. Mauricio Rodríguez‐Mayorga, Dr. Eloy Ramos‐Cordoba, Prof. Xabier Lopez, Prof. Miquel Solà, Prof. Jesus M. Ugalde, Dr. Eduard Matito
Publikováno v:
ChemistryOpen, Vol 8, Iss 4, Pp 411-417 (2019)
Abstract We analyze the Coulomb hole of Ne from highly‐accurate CISD wave functions obtained from optimized even‐tempered basis sets. Using a two‐fold extrapolation procedure we obtain highly accurate results that recover 97 % of the correlatio
Externí odkaz:
https://doaj.org/article/4878c266667c4496aaf860522cc0497f
