Hyperpolarizability
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Hyperpolarizability
The hyperpolarizability, a nonlinear-optical property of a molecule, is the second-order electric susceptibility per unit volume. The hyperpolarizability can be calculated using quantum chemical calculations developed in several software packages. See nonlinear optics. Definition and higher orders The linear electric polarizability \alpha in isotropic media is defined as the ratio of the induced dipole moment \mathbf of an atom to the electric field \mathbf that produces this dipole moment. Therefore the dipole moment is :\mathbf=\alpha \mathbf In an isotropic medium \mathbf is in the same direction as \mathbf, i.e. \alpha is a scalar. In an anisotropic medium \mathbf and \mathbf can be in different directions and the polarisability is now a tensor. The total density of induced polarization is the product of the number density of molecules multiplied by the dipole moment of each molecule, i.e. :\mathbf = \rho \mathbf = \rho \alpha \mathbf = \varepsilon_0 \chi \mathbf, ...
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Intrinsic Hyperpolarizability
Intrinsic hyperpolarizability in physics, mathematics and statistics, is a Scale invariance, scale invariant quantity that can be used to compare molecules of different sizes. The intrinsic hyperpolarizability is defined as the hyperpolarizability divided by the Kuzyk Limit. This quantity is scale invariant and thus is independent of the energy scale and number of electrons in a molecule that is being evaluated for its nonlinear optical response. Therefore, it can be used to compare molecules of different shapes and sizes. The Intrinsic Hyperpolarizability can be used as a figure of merit for comparing molecules for their usefulness in electro-optics applications. See also *Molecular mechanics *Molecular modelling *Quantum chemistry References

Nonlinear optics {{optics-stub ...
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Electric Susceptibility
In electricity (electromagnetism), the electric susceptibility (\chi_; Latin: ''susceptibilis'' "receptive") is a dimensionless proportionality constant that indicates the degree of polarization of a dielectric material in response to an applied electric field. The greater the electric susceptibility, the greater the ability of a material to polarize in response to the field, and thereby reduce the total electric field inside the material(and store energy). It is in this way that the electric susceptibility influences the electric permittivity of the material and thus influences many other phenomena in that medium, from the capacitance of capacitors to the speed of light. Definition for linear dielectrics If a dielectric material is a linear dielectric, then electric susceptibility is defined as the constant of proportionality (which may be a matrix) relating an electric field E to the induced dielectric polarization density P such that \mathbf P =\varepsilon_0 \chi_, wher ...
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Quantum Chemistry
Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of Molecule, molecules, Material, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed Wave function, wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties. Quantum chemistry is also concerned with the computation of quantum effects on molecular dynamics and chemical kinetics. Chemists rely heavily on spectroscopy through which information regarding the Quantization (physics), quantization of energy on a molecular scale can be obtained. Common metho ...
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Nonlinear Optics
Nonlinear optics (NLO) is the branch of optics that describes the behaviour of light in ''nonlinear media'', that is, media in which the polarization density P responds non-linearly to the electric field E of the light. The non-linearity is typically observed only at very high light intensities (when the electric field of the light is >108 V/m and thus comparable to the atomic electric field of ~1011 V/m) such as those provided by lasers. Above the Schwinger limit, the vacuum itself is expected to become nonlinear. In nonlinear optics, the superposition principle no longer holds. History The first nonlinear optical effect to be predicted was two-photon absorption, by Maria Goeppert Mayer for her PhD in 1931, but it remained an unexplored theoretical curiosity until 1961 and the almost simultaneous observation of two-photon absorption at Bell Labs and the discovery of second-harmonic generation by Peter Franken ''et al.'' at University of Michigan, both shortly after the constru ...
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Polarizability
Polarizability usually refers to the tendency of matter, when subjected to an electric field, to acquire an electric dipole moment in proportion to that applied field. It is a property of all matter, considering that matter is made up of elementary particles which have an electric charge, namely protons and electrons. When subject to an electric field, the negatively charged electrons and positively charged atomic nuclei are subject to opposite forces and undergo charge separation. Polarizability is responsible for a material's dielectric constant and, at high (optical) frequencies, its refractive index. The polarizability of an atom or molecule is defined as the ratio of its induced dipole moment to the local electric field; in a crystalline solid, one considers the dipole moment per unit cell. Note that the local electric field seen by a molecule is generally different from the macroscopic electric field that would be measured externally. This discrepancy is taken into account by ...
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Isotropy
Isotropy is uniformity in all orientations; it is derived . Precise definitions depend on the subject area. Exceptions, or inequalities, are frequently indicated by the prefix ' or ', hence ''anisotropy''. ''Anisotropy'' is also used to describe situations where properties vary systematically, dependent on direction. Isotropic radiation has the same intensity regardless of the direction of measurement, and an isotropic field exerts the same action regardless of how the test particle is oriented. Mathematics Within mathematics, ''isotropy'' has a few different meanings: ; Isotropic manifolds: A manifold is isotropic if the geometry on the manifold is the same regardless of direction. A similar concept is homogeneity. ; Isotropic quadratic form: A quadratic form ''q'' is said to be isotropic if there is a non-zero vector ''v'' such that ; such a ''v'' is an isotropic vector or null vector. In complex geometry, a line through the origin in the direction of an isotropic vector is a ...
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Electric Dipole Moment
The electric dipole moment is a measure of the separation of positive and negative electrical charges within a system, that is, a measure of the system's overall polarity. The SI unit for electric dipole moment is the coulomb-meter (C⋅m). The debye (D) is another unit of measurement used in atomic physics and chemistry. Theoretically, an electric dipole is defined by the first-order term of the multipole expansion; it consists of two equal and opposite charges that are infinitesimally close together, although real dipoles have separated charge.Many theorists predict elementary particles can have very tiny electric dipole moments, possibly without separated charge. Such large dipoles make no difference to everyday physics, and have not yet been observed. (See electron electric dipole moment). However, when making measurements at a distance much larger than the charge separation, the dipole gives a good approximation of the actual electric field. The dipole is represented by a v ...
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Vacuum Permittivity
Vacuum permittivity, commonly denoted (pronounced "epsilon nought" or "epsilon zero"), is the value of the absolute dielectric permittivity of classical vacuum. It may also be referred to as the permittivity of free space, the electric constant, or the distributed capacitance of the vacuum. It is an ideal (baseline) physical constant. Its CODATA value is: : ( farads per meter), with a relative uncertainty of It is a measure of how dense of an electric field is "permitted" to form in response to electric charges, and relates the units for electric charge to mechanical quantities such as length and force. For example, the force between two separated electric charges with spherical symmetry (in the vacuum of classical electromagnetism) is given by Coulomb's law: :F_\text = \frac \frac Here, ''q''1 and ''q''2 are the charges, ''r'' is the distance between their centres, and the value of the constant fraction 1/4 \pi \varepsilon_0 (known as the Coulomb constant, ''k''e) is ...
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Electric Susceptibility
In electricity (electromagnetism), the electric susceptibility (\chi_; Latin: ''susceptibilis'' "receptive") is a dimensionless proportionality constant that indicates the degree of polarization of a dielectric material in response to an applied electric field. The greater the electric susceptibility, the greater the ability of a material to polarize in response to the field, and thereby reduce the total electric field inside the material(and store energy). It is in this way that the electric susceptibility influences the electric permittivity of the material and thus influences many other phenomena in that medium, from the capacitance of capacitors to the speed of light. Definition for linear dielectrics If a dielectric material is a linear dielectric, then electric susceptibility is defined as the constant of proportionality (which may be a matrix) relating an electric field E to the induced dielectric polarization density P such that \mathbf P =\varepsilon_0 \chi_, wher ...
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Nonlinear Optics
Nonlinear optics (NLO) is the branch of optics that describes the behaviour of light in ''nonlinear media'', that is, media in which the polarization density P responds non-linearly to the electric field E of the light. The non-linearity is typically observed only at very high light intensities (when the electric field of the light is >108 V/m and thus comparable to the atomic electric field of ~1011 V/m) such as those provided by lasers. Above the Schwinger limit, the vacuum itself is expected to become nonlinear. In nonlinear optics, the superposition principle no longer holds. History The first nonlinear optical effect to be predicted was two-photon absorption, by Maria Goeppert Mayer for her PhD in 1931, but it remained an unexplored theoretical curiosity until 1961 and the almost simultaneous observation of two-photon absorption at Bell Labs and the discovery of second-harmonic generation by Peter Franken ''et al.'' at University of Michigan, both shortly after the constru ...
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Tensor
In mathematics, a tensor is an algebraic object that describes a multilinear relationship between sets of algebraic objects related to a vector space. Tensors may map between different objects such as vectors, scalars, and even other tensors. There are many types of tensors, including scalars and vectors (which are the simplest tensors), dual vectors, multilinear maps between vector spaces, and even some operations such as the dot product. Tensors are defined independent of any basis, although they are often referred to by their components in a basis related to a particular coordinate system. Tensors have become important in physics because they provide a concise mathematical framework for formulating and solving physics problems in areas such as mechanics (stress, elasticity, fluid mechanics, moment of inertia, ...), electrodynamics (electromagnetic tensor, Maxwell tensor, permittivity, magnetic susceptibility, ...), general relativity ( stress–energy tensor, cur ...
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