Cluster molecules nonlinear optical properties

Jensen, L. and Duijnen P. Th. van, The Discrete Solvent Reaction Field model A Quantum me-chanics/Molecular mechanics model for calculating nonlinear optical properties of molecules in the condensed phase., in Atoms, molecules and clusters in electric fields. Theoretical approaches to the calculation of electric polarizability, G. Maroulis, Editor. 2006, Imperial College Press London, p. 1-43. 

Shelkovnikov, V.V., Plekhanov, A.I., Safonov, V.P., Zhuravlev, F.A. (1993) Nonlinear optical properties of the assembliesof organic molecules and fractal metal clusters. Zhumal struct, chem. Vol.34. pp.90-105 (Rus.)... 

The current volume presents the compilation of splendid contributions distributed over 21 chapters. The very first chapter contributed by Istvan Hargittai presents the historical account of development of structural chemistry. It also depicts some historical memories of scientists presented in the form of their pictures. This historical description covers a vast period of time. Intruder states pose serious problem in the multireference formulation based on Rayleigh-Schrodinger expansion. Ivan Hubac and Stephen Wilson discuss the ciurent development and future prospects of Many-Body Brillouin-Wigner theories to avoid the problem of intruder states in the next chapter. The third chapter written by Vladimir Ivanov and collaborators reveals the development of multireference state-specific coupled cluster theory. The next chapter from Maria Barysz discusses the development and application of relativistic effects in chemical problems while the fifth chapter contributed by Manthos Papadopoulos and coworkers describes electronic, vibrational and relativistic contributions to the linear and nonlinear optical properties of molecules. 

Investigations of the linear and nonlinear optical properties of molecules, polymers, and clusters generally adopt the semi-classical approach. In this approach, the particles are treated quantum mechanically while a classical treatment is applied to the radiation so that the Hamiltonian is written as the sum of two types of terms, one representing the isolated system (Hq) and one being the radiation-molecule interaction term (Hi). For sufficiently large wavelengths with respect to the system dimensions. Hi can be expressed under the form of a multipole expansion ... 

Stability of common polymers, and consequently, thermal degradation of mercaptide molecules ean be also carried out with the mercaptide dissolved into a polymeric medium. In this case, a finely dispersed inorganic solid phase, embedded in polymer, is generated. Materials based on clusters confined in polymeric matrices are called nanocomposites [Mayer, 1998 Caseri, 2000]. Both semiconductor-polymer and metal-polymer nanocomposites have unique functional properties that can be exploited for applications in several advanced technological fields (e.g., optics, nonlinear optics, magnetooptics, photonics, optoelectronics) [Caseri, 2000]. 

In 2006, Bernard et al. also examined centrosymmetric boron cluster-containing molecules. Although these molecules did not show second-order nonlinear optical effects because of their cen-trosymmetry, they are interesting candidates for third-order TPA nonlinear processes. Centrosymmetric materials are more suitable for TPA applications in the visible range than noncentrosymmetric ones, because of their lower coloration (Wang et al., 2001). The presence of donor substituents at each arm of tripodal systems increases the TPA properties (Brunei et al., 2001). Bernard et al. desaibed, for the first time, branched octupolar systems with three dodecaborate units (Figure 13.16). 

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