Oscillator strength molecular

Here Z is the charge of the projectile with velocity v. In order to calculate stopping powers for atomic and molecular targets with reliability, however, one must choose a one-electron basis set appropriate for calculation of the generalized oscillator strength distribution (GOSD). The development of reasonable criteria for the choice of a reliable basis for such calculations is the concern of this paper. 

Molecular structures for CNDO/S calculations were optimized using HP/3-21G shown in Fig, 1, Dominant charge transfers at some selected states and their oscillator strength " /l(E-30 esu). 

When located at opposite ends (or at conjugated positions) in a molecular system, a donor and an acceptor do more than simply add up their separate effects. A cooperative phenomenon shows up, involving the entire disubstituted molecule, known as charge transfer (C.T.). Such compounds are colored (from pale yellow to red, absorption from 3,000 to 5,000 A) and show high U.V. absorption oscillator strength. "Figure 2 helps understand the enhancement of optical nonlinearity in such a system. 

The benzofuran-naphthyridine linked dye compound (ABAN, see Fig. 1) has been successfully converted to fluorescent organic nanoparticles [34], for which their photophysical properties such as spectral features and emission intensity are remarkably different from those at the molecular level (solution). The results are rationalized by coplanarization of the benzofuran-naphthyridine molecule in the nanoparticle to extend its effective conjugation length and hence increase the oscillator strength, as is similar to the cases described above. 

The molar absorption coefficient, e(2), expresses the ability of a molecule to absorb light in a given solvent. In the classical theory, molecular absorption of light can be described by considering the molecule as an oscillating dipole, which allows us to introduce a quantity called the oscillator strength, which is directly related to the integral of the absorption band as follows ... 

In eq. (13-1) the first equality gives the definition of the oscillator strength in the dipole-length representation, while the second equality gives the definition in the momentum (or velocity) representation. As usual, and T, are the total molecular wavefunctions for the final and initial states, and Ef and Et are the energies of the final and initial states, respectively. 

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