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When does the non-variational nature of second-order Møller-Plesset energies manifest itself? All-electron correlation energies for open-shell atoms from K to Br
McCarthy, Shane P., Thakkar, Ajit J.Volume:
136
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.3679969
Date:
February, 2012
File:
PDF, 387 KB
english, 2012