scholarly journals A comparison between state-specific and linear-response formalisms for the calculation of vertical electronic transition energy in solution with the CCSD-PCM method

2013 ◽  
Vol 139 (4) ◽  
pp. 044116 ◽  
Author(s):  
Marco Caricato
Keyword(s):  
Electronic Transition ◽  
Linear Response ◽  
Transition Energy ◽  
Electronic Transition Energy ◽  
Vertical Electronic Transition

More light on the low electronic transition energy bands of dithizone

1987 ◽  
Vol 43 (10) ◽  
pp. 1281-1285 ◽  
Author(s):  
M.R. Mahmoud ◽  
A.A.Abd El Gaber ◽  
A.M. El Roudi ◽  
E.M. Soliman
Keyword(s):  
Electronic Transition ◽  
Transition Energy ◽  
Energy Bands ◽  
Electronic Transition Energy

scholarly journals "The Effects of Additive TiO2 Nanoparticles on the Optical properties of DCM Doped with PVC Thin Films "

2018 ◽  
Vol 5 (1) ◽  
pp. 27-35
Author(s):  
Shymaa K. Hussian ◽  
Thill A. Kadhum Al-musaw ◽  
Shatha Raheem Helal Al himidi
Keyword(s):  
Thin Films ◽  
Optical Properties ◽  
Tio2 Nanoparticles ◽  
Electronic Transition ◽  
Transition Energy ◽  
Energy Gap ◽  
Sol Gel ◽  
Titania Nanoparticles ◽  
Absorption Region ◽  
Electronic Transition Energy

"In this work thin films containing laser dye (DCM) doped with (PVC) were prepared using casting method. Titania (TiO2) nanoparticles also were synthesized using sol-gel technique. Different titania nanoparticle densities (0.882×1020, 1.765×1020, 2.648×1020 and 3.530×1020 cm-3) were co-doping with dye doped polymer to study the effect of this addition on the optical properties and electronic transition energy gaps in cases of both direct and indirect transitions, Absorbance spectra were measured using Spectrophotometer. Absorption and extinction coefficients as well as the refractive indices have been obtained the spectra of absorbance at the strong absorption region. It was observed from results that the allowed direct electronic transitions energy gap was decreasing from 2.22 to 2.175e.V with the increasing of titania nanoparticles density and the allowed indirect electronic transition energy gap decreasing from 2.19 to 2.13e.V.

Dyes: quantum chemical calculation of electronic spectra

2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Heinz Mustroph
Keyword(s):  
Electronic Transition ◽  
Quantum Chemical ◽  
Transition Energy ◽  
Quantum Mechanical ◽  
Chemical Calculation ◽  
Absorption Process ◽  
Mechanical Theory ◽  
Absorption Bands ◽  
Quantum Mechanical Theory ◽  
Electronic Transition Energy

Abstract The basics of the quantum mechanical theory of the light absorption process, the simplifications of the theory in form of models and their application to dyes are reviewed. The factors governing the electronic transition energy, the intensity of the electronic transition and the vibrational fine structure of the absorption bands are examined.

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