Effects of partial triple excitations in atomic coupled cluster calculations
نویسندگان
چکیده
منابع مشابه
Triple excitations in the relativistic coupled-cluster formalism and calculation of Na properties
A practical high-accuracy relativistic method of atomic structure calculations for univalent atoms is presented. The method is rooted in the coupled-cluster formalism and includes nonperturbative treatment of single and double excitations from the core and single, double, and triple excitations involving valence electron. Triple excitations of core electrons are included in the fourth order of ...
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2007
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2007.05.052