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MonographDOI

Nonlinear optical properties of organic and polymeric materials

29 Sep 1983-
About: The article was published on 1983-09-29 and is currently open access. It has received 762 citations till now.
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Journal ArticleDOI
TL;DR: In this article, the Hartree-Fock energy and dipole moment expectation values approaching machine precision were calculated using finite difference approximations for the ground states of the 14 electron systems N2, CO and BF.
Abstract: We investigate the accuracy with which the electric dipole polarizability, αzz, and the hyperpolarizability, βzzz, can be calculated by using the algebraic approximation, i.e. finite basis set expansions, and by means of the finite difference method in calculations for the ground states of the 14 electron systems N2, CO and BF within the Hartree–Fock model at their respective experimental equilibrium geometries. For a well-chosen grid, the finite difference technique can provide Hartree–Fock energy and dipole moment expectation values approaching machine precision which can be used to assess the accuracy of corresponding calculations carried out within the algebraic approximation. The finite field approximation is used to determine polarizabilities and hyperpolarizabilities from finite difference Hartree–Fock dipole moment expectation values. The results are compared with finite basis set calculations of the corresponding quantities which are carried out analytically using coupled perturbed Hartree–Fock theory. For the N2 molecule, the Hartree–Fock polarizability is found to be 14.9512 au within the finite basis set approximation and 14.945 au within the finite difference approach. For the CO molecule, the corresponding results are 14.4668 au and 14.4668 au, whilst for the BF molecule the values are 16.6450 au and 16.6450 au, respectively. The Hartree–Fock hyperpolarizability of the CO molecule is found to be 31.4081 au and 31.411 au within the finite basis set and finite difference approximations, respectively. The corresponding hyperpolarizability values for the BF molecule are 63.9687 au and 63.969 au, respectively.

17 citations

Journal ArticleDOI
TL;DR: In this paper, the synthesis and characterization of p-Toluidinium picrate (PTP), an organic non-linear optical single crystal, produced by the solvent evaporation growth technique at room temperature condition, was dealt with.

17 citations

Journal ArticleDOI
TL;DR: Polarized second harmonic measurements are used to determine the in and out-of-plane orientations of molecular dipoles in optical active, elongated, surface bound nanoaggregates as mentioned in this paper.

16 citations

Journal ArticleDOI
TL;DR: In this paper, the effect of urea on the fluorescence emission of chemically synthesized DAST (4-N, N-dimethylamino-4′-N′-methyl-stilbazolium tosylate) and UDAST (containing urea as additive) samples have been carried out in solid and solution phases.
Abstract: The Optical studies on chemically synthesized DAST (4-N, N-dimethylamino-4′-N′-methyl-stilbazolium tosylate) and UDAST (containing urea as additive) samples have been carried out in solid and solution phases. Both the solid samples show intense one-photon fluorescence in the 550–850-nm region when pumped with wavelength lower than 550 nm. Solid DAST shows two broad emission bands centered at 589 nm (intense) and 721 nm (weak). Solid UDAST sample also exhibits two bands centered at 618 and 740 nm but opposite pattern in intensity. The emission band at 721 nm was supposed to arise due to the intermolecular charge transfer (ICT) from one chromophore (stilbazolium) to another (tosylate). The effect of urea on the fluorescence emission is discussed. In solution phase both the samples show only single fluorescence band (band width ∼75 nm) at 611 nm peak wavelength. Also, the DAST and UDAST in solid/solution phase show two-photon-pumped (TPP) upconversion emission on 1.06 μm pumping. Further, DAST was doped into a sol–gel-derived glass matrix, and in this glass a new emission band has been observed at 402-nm on 266-nm pump wavelength.

16 citations


Cites background from "Nonlinear optical properties of org..."

  • ...Recent and ongoing advances in molecular synthesis chemistry and materials engineering have made organic materials highly attractive for photonic applications [3]....

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