Triple excitations in state-specific multireference coupled cluster theory: Application of Mk-MRCCSDT and Mk-MRCCSDT-n methods to model systems

Journal of Chemical Physics

Volumn 128, Issue 12, 2008, Pages

  Evangelista, Francesco A ^a   Simmonett, Andrew C ^a   Allen, Wesley D ^a   Schaefer, Henry F ^a   Gauss, Jürgen ^b  

^a UNIVERSITY OF GEORGIA   (United States)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ITERATIVE METHODS; MATRIX ALGEBRA; POTENTIAL ENERGY;

MUKHERJEE MULTIREFERENCE; NONPARALLELISM ERROR (NPE); QUADRATIC TRUNCATIONS;

EXCITATION ENERGY;

EID: 41549112446     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2834927     Document Type: Article

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