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.

Autor:	Tanaka, Kiyoshi1,2,3 k-tanaka@fsis.iis.u-tokyo.ac.jp, Mochizuki, Yuji1,2,3,4, Ishikawa, Takeshi1,4, Terashima, Hidemi5, Tokiwa, Hiroaki1,4
Zdroj:	Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Apr2007, Vol. 117 Issue 3, p397-405. 9p. 4 Charts, 2 Graphs.
Databáze:	Academic Search Ultimate
Externí odkaz:	Zobrazit plný text záznamu