Coupled cluster methods including triple excitations for excited states of radicals

Journal of Chemical Physics

Volumn 122, Issue 5, 2005, Pages

  Smith, Christopher E ^a,b   King, Rollin A ^a,b   Crawford, T Daniel ^a  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^b BETHEL UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DAVIDSON ALGORITHM; EXCITATION ENERGY; OPEN-SHELL MOLECULES; SPIN CONTAMINATION;

ALGORITHMS; CARBON; COMPUTATIONAL METHODS; ERROR ANALYSIS; FREE RADICALS; ITERATIVE METHODS;

MOLECULAR STRUCTURE;

EID: 23044498612     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1835953     Document Type: Article

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