On the convergence of perturbative coupled cluster triples expansions: Error cancellations in the CCSD(T) model and the importance of amplitude relaxation

Journal of Chemical Physics

Volumn 142, Issue 1, 2015, Pages

  Eriksen, Janus J ^a   Jørgensen, Poul ^a   Gauss, Jürgen ^b  

^a AARHUS UNIVERSITY   (Denmark)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; PERTURBATION TECHNIQUES;

COUPLED-CLUSTER SINGLES; COUPLED-CLUSTER SINGLES AND DOUBLES; EQUILIBRIUM GEOMETRIES; ERROR CANCELLATION; MANY BODY PERTURBATION THEORY; NUMERICAL COMPARISON; PERTURBATION SERIES; THEORETICAL FOUNDATIONS;

NUMERICAL METHODS;

EID: 84923776270     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4904754     Document Type: Article

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