Achieving the CCSD(T) Basis-Set Limit in Sizable Molecular Clusters: Counterpoise Corrections for the Many-Body Expansion.

Richard, Ryan M; Lao, Ka Un; Herbert, John M.

Richard RM; Department of Chemistry and Biochemistry, The Ohio State University , Columbus, Ohio 43210, United States.
Lao KU; Department of Chemistry and Biochemistry, The Ohio State University , Columbus, Ohio 43210, United States.
Herbert JM; Department of Chemistry and Biochemistry, The Ohio State University , Columbus, Ohio 43210, United States.

J Phys Chem Lett ; 4(16): 2674-80, 2013 Aug 15.

Article en En | MEDLINE | ID: mdl-26706713