Nature of Low-Lying Excited States in H-Aggregated Perylene Bisimide Dyes: Results of TD-LRC-DFT and the Mixed Exciton Model

2009 ◽  
Vol 113 (44) ◽  
pp. 14581-14587 ◽  
Author(s):  
Fei Pan ◽  
Fang Gao ◽  
WanZhen Liang ◽  
Yi Zhao
Keyword(s):  
Excited States ◽  
Exciton Model ◽  
Perylene Bisimide

An Exciton Approach to the Excited States of Two Electron Atoms. II. Determination of Spectroscopic Parameters, Polarizabilities and Dispersion Coefficients of H-, He, Li+, Be2+ and Ne8+

1985 ◽  
Vol 38 (1) ◽  
pp. 11
Author(s):  
PE Schipper ◽  
B Martire
Keyword(s):  
Excited States ◽  
Ground State ◽  
Wave Functions ◽  
Oscillator Strengths ◽  
Exciton Model ◽  
Interaction Coefficients ◽  
Isoelectronic Series ◽  
Helium Isoelectronic Series ◽  
Good Agreement

The exciton model developed in an earlier paper is applied quantitatively to a description of the excited states of representative members of the helium isoelectronic series; viz. H-, He, Li+,Be2+ and Ne8+. The energies of the eight lowest excited states are in good agreement with experiment, for a relatively small (1s-4p) hydrogenic basis; the ground state is obtained with slightly less precision. Response properties including oscillator strengths, polarizabilities and dispersion interaction coefficients are also calculated. The method appears to be quantitatively sound, and, above all, leads to particularly simple interpretations of the wave functions and the energies.

The Atomic Exciton Model for the Excited States of p-Electron Systems

1985 ◽  
Vol 38 (10) ◽  
pp. 1529
Author(s):  
PE Schipper
Keyword(s):  
Excited States ◽  
Ground State ◽  
Valence Bond ◽  
Essential Difference ◽  
Electron Systems ◽  
Exciton Model ◽  
Valence Bond Theory ◽  
Bond Theory ◽  
Atomic Excitations ◽  
Insight Into

A new model is presented to describe the π-π* excitations of π-electron systems in terms of intra-atomic excitations. The atomic exciton model combines features of conventional exciton and valence bond theory, reducing to the former in the non-exchanging limit, and the latter in the ground-state limit with covalent structures. The model is ideally suited to the approximate or exact incorporation of exchange, and highlights the opposition of excitation and electron interchange in determining the energetics of the excitation manifold, eliciting thereby the essential difference between ground and excited states. Applications to some simple π-systems are considered, providing new insight into their excited states.

Phenylene Ethynylene-Tethered Perylene Bisimide Folda-Dimer and Folda-Trimer: Investigations on Folding Features in Ground and Excited States

2014 ◽  
Vol 21 (2) ◽  
pp. 615-630 ◽  
Author(s):  
Benjamin Fimmel ◽  
Minjung Son ◽  
Young Mo Sung ◽  
Matthias Grüne ◽  
Bernd Engels ◽  
...  
Keyword(s):  
Excited States ◽  
Phenylene Ethynylene ◽  
Perylene Bisimide

An Excition Approach to the Excited States of Two Electron Atoms. I. Formalism and Interpretation

1985 ◽  
Vol 38 (1) ◽  
pp. 1 ◽  
Author(s):  
PE Schipper
Keyword(s):  
Electronic Properties ◽  
Excited States ◽  
Electron Pair ◽  
Atomic Electron ◽  
Exciton Model

The exciton model is formally applied to a description of the excited states of two electron atoms with the explicit inclusion of exchange. The model leads to a conceptually simple framework for the discussion of the electronic properties of the archetypical atomic electron pair.

scholarly journals An Ab Initio Exciton Model Including Charge-Transfer Excited States

2017 ◽  
Vol 13 (8) ◽  
pp. 3493-3504 ◽  
Author(s):  
Xin Li ◽  
Robert M. Parrish ◽  
Fang Liu ◽  
Sara I. L. Kokkila Schumacher ◽  
Todd J. Martínez
Keyword(s):  
Charge Transfer ◽  
Ab Initio ◽  
Excited States ◽  
Exciton Model

Vuv Spectra Y to Mo

1988 ◽  
Vol 102 ◽  
pp. 239
Author(s):  
M.S.Z. Chaghtai
Keyword(s):  
Excited States ◽  
Spectral Analyses ◽  
Vuv Spectra

Using R.D. Cowan’s computations (1979) and parametric calculations of Meinders et al (1982), old analyses are thoroughly revised and extended at Aligarh, of Zr III by Khan et al (1981), of Nb IV by Shujauddin et Chaghtai (1985), of Mo V by Tauheed at al (1985). Cabeza et al (1986) confirmed the last one largely.Extensive studies have been reported of the 1–e spectra, Zr IV (Rahimullah et al 1980; Acquista and Reader 1980), Nb V (Shujauddin et al 1982; Kagan et al 1981) and Mo VI (Edlén et al 1985). Some interacting 4p54d2levels of these spectra have been reported from our laboratory, also.Detailed spectral analyses of transitions between excited states have furnished complete energy values for J ≠ 1 levels of these spectra during 1970s and 80s. Shujauddin et al (1982) have worked out Nb VI and Tauheed et al (1984) Mo VII from our lab, while Khan et al (1981) share the work on Zr V with Reader and Acquista (1979).

Excited states of nuclei in -coupling

Physica ◽  
1952 ◽  
Vol 18 (2) ◽  
pp. 1101-1104
Author(s):  
B FLOWERS
Keyword(s):  
Excited States

ACCESS OF EXCITED STATES TO THE CONTINUUM

1985 ◽  
Vol 46 (C7) ◽  
pp. C7-409-C7-412 ◽  
Author(s):  
C. K. Jørgensen
Keyword(s):  
Excited States ◽  
The Continuum

GIANT RESONANCES BUILT ON HIGHLY EXCITED STATES

1984 ◽  
Vol 45 (C4) ◽  
pp. C4-337-C4-350 ◽  
Author(s):  
K. A. Snover
Keyword(s):  
Excited States ◽  
Giant Resonances
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