Screening Harmonic currents

The frequency dependence of SHG at simple metal surface has been the focus of a recent theoretical study of Liebsch [100]. Time-dependent density functional theory was used in these calculations. The results suggest that the perpendicular surface contribution to the second harmonic current is found to be significantly larger than had been assumed previously. He also concludes that for 2 a> close to the threshold for electron emission, the self-consistently screened nonlinear electronic response becomes resonantly enhanced, analogous to local field enhancement in the linear response near the bulk plasma frequency. 

Harmonic analyzers or harmonic meters are relatively simple instruments for measuring and recording harmonic distortion data. Typically, harmonic analyzers contain a meter with a waveform display screen, voltage leads, and current probes. Some of the analyzers are handheld devices and others are intended for tabletop use. Some instruments provide a snapshot of the waveform and harmonic distortion pertaining to the instant during which the measurement is made. Other instruments are capable of recording snapshots as well as a continuous record of harmonic distortion over time. Obviously, units that provide more information cost more. Depending on the... 

Although many satisfactory VCD studies based on the gas phase simulations have been reported, it may be necessary to account for solvent effects in order to achieve conclusive AC assignments. Currently, there are two approaches to take solvent effects into account. One of them is the implicit solvent model, which treats a solvent as a continuum dielectric environment and does not consider the explicit intermolecular interactions between chiral solute and solvent molecules. The two most used computational methods for the implicit solvent model are the polarizable continuum model (PCM) [93-95] and the conductor-like screening model (COSMO) [96, 97]. In this treatment, geometry optimizations and harmonic frequency calculations are repeated with the inclusion of PCM or COSMO for all the conformers found. Changes in the conformational structures, the relative energies of conformers, and the harmonic frequencies, as well as in the VA and VCD intensities have been reported with the inclusion of the implicit solvent model. The second approach is called the explicit solvent model, which takes the explicit intermolecular interactions into account. The applications of these two approaches, in particular the latter one will be further discussed in Sect. 4.2. 

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