Basis set convergence of post-CCSD contributions to molecular atomization energies
نویسندگان
چکیده
منابع مشابه
Basis set convergence of post-CCSD contributions to molecular atomization energies.
Basis set convergence of correlation effects on molecular atomization energies beyond the coupled cluster with singles and doubles (CCSD) approximation has been studied near the one-particle basis set limit. Quasiperturbative connected triple excitations, (T), converge more rapidly than L(-3) (where L is the highest angular momentum represented in the basis set), while higher-order connected tr...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2007
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2755751