Converging many-body correlation energies by means of sequence extrapolation

We present an extrapolation scheme for the correlation energy in many-body theory that requires only a relatively small fraction of the orbitals spanning the virtual space but recovers nearly the whole dynamic correlation energy, independently of the single- or multi-reference nature of the problem....

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Bibliographische Detailangaben

Veröffentlicht in:	The Journal of chemical physics 2018-01, Vol.148 (3), p.034107-034107
Hauptverfasser:	Segarra-Martí, J., Garavelli, M., Aquilante, F.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences or physical chemistry Theoretical and
Online-Zugang:	Volltext
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