Dispersion of linear and nonlinear optical susceptibilities and the hyperpolarizability of 3-methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole.

As a starting point for our calculation of 3-methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole we used the XRD data obtained by C. Liu, Z. Wang, H.

Investigation of the linear and nonlinear optical susceptibilities of KTiOPO4 single crystals: theory and experiment.

Experimental and theoretical studies of the linear and nonlinear optical susceptibilities for single crystals of potassium titanyl phosphate KTiOPO₄ are reported. The state-of-the-art full potential linear augmented plane wave method, based on the density functional theory, was applied for the theoretical investigation. The calculated direct energy band gap at Γ, using the Engel-Vosko exchange correlation functional, is found to be 3.

Density functional calculations of the electronic structure of 3-phenylamino-4-phenyl-1,2,4-triazole-5-thione.

Starting with the X-ray diffraction data on the 3-phenylamino-4-phenyl-1,2,4-triazole-5-thione compound obtained by Wang et al. [Molecules, 2009, 14, 608], we have optimised the atomic positions by minimization of the forces acting on the atoms using a full potential linear augmented plane wave method within density-functional theory along with the generalized gradient approximation (GGA) by Perdew, Burke and Ernzerhof (PBE) exchange-correlation potential. In addition, for the electronic band-structure and the calculation of the gap the Engel-Vosko (EV-GGA) scheme has applied.

Band structure, density of states, and optical susceptibilities of a novel lithium indium orthoborate Li3InB2O6.

By use of the structural parameters of the single crystal lithium indium orthoborate obtained by Penin et al. (Solid State Sci. 2001, 3, 461-468), from X- ray diffraction data, we present a first-principle study of the electronic structure and the linear optical properties for the novel lithium indium orthoborate Li3InB2O6.

Second harmonic generation from thick leaves using the two-photon laser scanning microscope.

A laser-scanning microscope using second harmonic generation (SHG) as a probe is shown to produce high-resolution images of duckweed Lemna minuta leaves. These leaves are multi-cell layer thick. Second harmonic light is generated by a tightly focused short pulse laser beam and is collected by two objectives yielding forward and backward second harmonic digital images.

Electronic structure and optical properties of 1T-TiS2 and lithium intercalated 1T-TiS2 for lithium batteries.

We report results of first-principles calculations of electronic and optical properties of pristine 1T-TiS(2) and 1T-TiS(2) intercalated with lithium. Calculations have been performed using the full-potential linearized augmented plane wave method based on density functional theory together with the local density approximation for the exchange correlation energy functional. We have calculated the band structure, density of states, and the linear optical properties.

Reduction of the pulse duration of the ultrafast laser pulses of the Two-Photon Laser Scanning Microscopy (2PLSM).

Background: We provide an update of our two-photon laser scanning microscope by compressing or reducing the broadening of the pulse width of ultrafast laser pulses for dispersion precompensation, to enable the pulses to penetrate deeply inside the sample.

Findings: The broadening comes as the pulses pass through the optical elements. We enhanced and modified the quality and the sharpness of images by enhancing the resolution using special polarizer namely Glan Laser polarizer GL10.