Determination of a merocyanine J-aggregate structure and the significant contribution of the electric dipole interaction to the exciton band wavelength

Physical Review Letters

Volumn 94, Issue 13, 2005, Pages

  Kato, Noritaka ^a   Yuasa, Kazuya ^a   Araki, Takeshi ^a   Hirosawa, Ichiro ^b   Sato, Masugu ^b   Ikeda, Naoshi ^b   Limura, Ken Ichi ^c   Uesu, Yoshiaki ^a  

^a WASEDA UNIVERSITY   (Japan)

^b JAPAN SYNCHROTRON RADIATION RESEARCH INSTITUTE   (Japan)

^c UTSUNOMIYA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION BANDS; ELECTRIC DIPOLE (ED); GRAZING INCIDENCE X-RAY DIFFRACTION (GIXD); TRANSITION DIPOLE (TD);

APPROXIMATION THEORY; DYES; EXCITONS; GROUND STATE; HAMILTONIANS; INTEGRAL EQUATIONS; INTERFACES (MATERIALS); MONOLAYERS; NITROGEN COMPOUNDS; QUANTUM THEORY; SECOND HARMONIC GENERATION; SYNCHROTRON RADIATION; X RAY DIFFRACTION;

MOLECULAR DYNAMICS;

EID: 18144416964     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.94.136404     Document Type: Article

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35. tr.
36. e| not on the excited-state geometry in an appropriate media. The RCIS level of approximation is also insufficient to yield a realistic value. See J.B. Foresman and æ. Frisch, Exploring Chemistry with Electronic Structure Methods (Gaussian, Inc., Pittsburgh, PA, 1996).