Titlebook: Non-Linear Optical Properties of Matter; From molecules to co Manthos G. Papadopoulos,Andrzej J. Sadlej,Jerzy Le Book 2006 Springer Science

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SOS Methods in Calculations of Electronic NLO Properties,lectronic contributions to first- and second-order hyperpolarizability. The SOS approach to the calculation of the multiphoton absorption is also discussed. The various approximations to exact sum-over-states formulae are presented. In particular, we describe the so-called few-levels models, which a

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,Kohn–Sham Time-Dependent Density Functional Theory with Applications to Linear and Nonlinear Properrived from an explicit exponential parametrization of the density operator and the Ehrenfest principle, alternatively the quasi-energy ansatz. While the theory retains the adiabatic approximation, implying that the time-dependency of the functional is obtained only implicitly—through the time-depend

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Multiconfigurational Self-Consistent Field-Molecular Mechanics Response Methods,cs force fields are outlined. An overwiew of the theoretical developments presented in the work by Poulsen et al. is given. Poulsen et al. have developed multiconfigurational self-consistent field molecular mechanics (MCSCF/MM) response methods to include third order molecular properties and these a

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,Solvatochromism and Nonlinear Optical Properties of Donor-acceptor π-Conjugated Molecules,description of the solvent effects on nonlinear response of molecular systems. The connection between the nonlinear optical response and solvatochromic behavior of the donor-acceptor π-conjugated molecules is considered. The general relations between molecular (hyper)polarizabilities and two-photon

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Symmetry Based Approach to the Evaluation of Second Order NLO Properties of Carbon Nanotubes,erties (NLO). Emphasis is given to potentiality of the method to estimate quantitatively the magnitude of first hyperpolarizability for several CNTs topologies. The main advantage of performing calculations with symmetrized eigenfunctions, relies on the direct identification of the state-to-state tr

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Nonlinear Optical Properties of Chiral Liquids,e pseudoscalars that underlie nonlinear optical activity and chiral frequency conversion processes in fluids. We show that nonlinear optical techniques open entirely new ways of exploring chirality: Sum-frequency-generation (SFG) at second-order and BioCARS at fourth-order arise in the electric-dipo