Approximate inclusion of triple excitations in combined coupled cluster/molecular mechanics: Calculations of electronic excitation energies in solution for acrolein, water, formamide, and N-methylacetamide

Journal of Chemical Theory and Computation

Volumn 6, Issue 3, 2010, Pages 839-850

  Sneskov, Kristian ^a   Matito, Eduard ^a,c   Kongsted, Jacob ^b   Christiansen, Ove ^a  

^a AARHUS UNIVERSITY   (Denmark)

^b UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

^c UNIVERSITY OF SZCZECIN   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77950120041     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct900641w     Document Type: Article

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