Benchmark full configuration interaction and equation-of-motion coupled-cluster model with single and double substitutions for ionized systems results for prototypical charge transfer systems: Noncovalent ionized dimers

Journal of Chemical Physics

Volumn 127, Issue 16, 2007, Pages

  Pieniazek, Piotr A ^a   Arnstein, Stephen A ^b   Bradforth, Stephen E ^a   Krylov, Anna I ^a   Sherrill, C David ^b  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; EQUATIONS OF MOTION; POTENTIAL ENERGY SURFACES;

DOUBLET SYSTEMS; IONIZED SYSTEMS; OPEN-SHELL REFERENCE;

CHARGE TRANSFER;

EID: 36049042222     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2795709     Document Type: Article

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