The extension of the fragment molecular orbital method with the many-particle Green's function

By using the many-particle Green's function (GF) the extension of the fragment molecular orbital (FMO) method by Kitaura et al. [Chem. Phys. Lett. 313, 701 (1999)] is proposed. It is shown that the partial summation of the cluster expansion of GF reproduces the same extrapolation formula as tha...

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Veröffentlicht in:	The Journal of chemical physics 2006-10, Vol.125 (15), p.154101-154101
Hauptverfasser:	Yasuda, Koji, Yamaki, Daisuke
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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