Ground and excited states of linked and fused zinc porphyrin dimers: Symmetry adapted cluster (SAC)-configuration interaction (CI) study

Journal of Chemical Physics

Volumn 117, Issue 24, 2002, Pages 11196-11207

  Miyahara, T ^a   Nakatsuji, H ^a   Hasegawa, J ^a   Osuka, A ^a   Aratani, N ^a   Tsuda, A ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION INTERACTION METHOD; ELECTRONIC SPECTRUM; MOLECULAR ORBITAL GROUP; SYMMETRY ADAPTED CLUSTER; ZINC PORPHYRIN DIMERS;

ABSORPTION SPECTROSCOPY; BAND STRUCTURE; COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRON SPECTROSCOPY; ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR DYNAMICS; MONOMERS; PORPHYRINS; ZINC COMPOUNDS;

DIMERS;

EID: 0037461497     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1521763     Document Type: Article

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