Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer

Journal of Chemical Physics

Volumn 132, Issue 15, 2010, Pages

  Kowalski, Karol ^a   Krishnamoorthy, Sriram ^b   Villa, Oreste ^b   Hammond, Jeff R ^c   Govind, Niranjan ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; COMPLETELY RENORMALIZED; EQUATION OF MOTION COUPLED CLUSTERS; GREEN FLUORESCENT PROTEIN; ITERATIVE EQUATION; MEDIUM SIZE; MOLECULAR SYSTEMS; NON-ITERATIVE; NUMERICAL COSTS; VERTICAL EXCITATION ENERGY;

COST REDUCTION; EXCITATION ENERGY; FLUORESCENCE; NUMERICAL METHODS; PORPHYRINS; PROTEINS; SCALABILITY;

EQUATIONS OF MOTION;

GREEN FLUORESCENT PROTEIN; PORPHYRIN;

ALGORITHM; ARTICLE; CHEMISTRY; DIMERIZATION; QUANTUM THEORY;

ALGORITHMS; DIMERIZATION; GREEN FLUORESCENT PROTEINS; PORPHYRINS; QUANTUM THEORY;

EID: 77951683726     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3385315     Document Type: Article

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