Multireference Stochastic Coupled Cluster

We describe a modification of the stochastic coupled cluster algorithm that allows the use of multiple reference determinants. By considering the secondary references as excitations of the primary reference and using them to change the acceptance criteria for selection and spawning, we obtain a simp...

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Veröffentlicht in:	arXiv.org 2020-10
Hauptverfasser:	Maria-Andreea Filip, Scott, Charles J C, Thom, Alex J W
Format:	Artikel
Sprache:	eng
Schlagworte:	Acceptance criteria Algorithms Clusters Electronic structure Physics - Chemical Physics
Online-Zugang:	Volltext
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