Achieving the CCSD(T) basis-set limit in sizable molecular clusters: Counterpoise corrections for the many-body expansion

Journal of Physical Chemistry Letters

Volumn 4, Issue 16, 2013, Pages 2674-2680

  Richard, Ryan M ^a   Lao, Ka Un ^a   Herbert, John M ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

basis set superposition error; complete basis extrapolation; counterpoise correction; many body expansion

Indexed keywords

BASIS SET SUPERPOSITION ERRORS; CBS EXTRAPOLATION; COMPLETE BASIS SET LIMIT; COMPUTATIONAL TIME; COUNTERPOISE CORRECTION; ELECTRONIC STRUCTURE CALCULATIONS; MANY-BODY EXPANSION; MOLECULAR CLUSTERS;

ELECTRIC CIRCUIT BREAKERS; ELECTRONIC STRUCTURE;

EXTRAPOLATION;

EID: 84882399378     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz401368u     Document Type: Article

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