A graphical symmetric group approach for a spin adapted full configuration interaction: partitioning of a configuration graph into sets of closed-shell and open-shell graphs

Author： Tanaka Kiyoshi   Mochizuki Yuji   Ishikawa Takeshi   Terashima Hidemi   Tokiwa Hiroaki  

Publisher： Springer Publishing Company

ISSN： 1432-881X

Source： Theoretical Chemistry Accounts, Vol.117, Iss.3, 2007-03, pp. : 397-405

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