Constrained anisotropic dipole oscillator strength distribution techniques, and reliable results for anisotropic and isotropic dipole molecular properties, with applications to H2 and N2
Identifieur interne : 004593 ( Main/Exploration ); précédent : 004592; suivant : 004594Constrained anisotropic dipole oscillator strength distribution techniques, and reliable results for anisotropic and isotropic dipole molecular properties, with applications to H2 and N2
Auteurs : Ashok Kumar [Canada] ; William J. Meath [Canada]Source :
- Theoretica chimica acta [ 0040-5744 ] ; 1992-01-01.
Abstract
Summary: Constrained anisotropic dipole oscillator strength distribution techniques are discussed and applied to obtain reliable results for a wide variety of the anisotropic and isotropic dipole properties of H2 and N2. These include the dipole oscillator strength sumsS k, k=2, 1, −1/2(−1/2) −2, −3, −4, ..., the logarithmic dipole sumsL k and mean excitation energiesI k, k=2(−1) − 2, and, as a function of wavelength, the dynamic polarizability and the associated anisotropy, the total depolarization ratio, the Rayleigh scattering cross section, and the Verdet constant. The anisotropic components of the DOSD for a molecule are obtained from a given recommended isotropic DOSD by using a constrained least squares procedure and a series of known anisotropic constraints. Assuming that sufficient input is available, the constrained DOSD approach used in this paper is the only available method for the reliable evaluation ofall the relevant anisotropic and isotropic dipole properties for a wide variety of atoms and molecules.
Url:
DOI: 10.1007/BF01113134
Affiliations:
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Meath</name><affiliation wicri:level="1"><country xml:lang="fr">Canada</country><wicri:regionArea>Department of Chemistry, University of Western Ontario, N6A 5B7, London, Ontario</wicri:regionArea><wicri:noRegion>Ontario</wicri:noRegion></affiliation><affiliation wicri:level="1"><country xml:lang="fr">Canada</country><wicri:regionArea>Associated with the Centre for Interdisciplinary Studies in Chemical Physics, University of Western Ontario</wicri:regionArea><wicri:noRegion>University of Western Ontario</wicri:noRegion></affiliation></author></analytic><monogr></monogr><series><title level="j">Theoretica chimica acta</title><title level="j" type="abbrev">Theoret. Chim. Acta</title><idno type="ISSN">0040-5744</idno><idno type="eISSN">1432-2234</idno><imprint><publisher>Springer-Verlag</publisher><pubPlace>Berlin/Heidelberg</pubPlace><date type="published" when="1992-01-01">1992-01-01</date><biblScope unit="volume">82</biblScope><biblScope unit="issue">1-2</biblScope><biblScope unit="page" from="131">131</biblScope><biblScope unit="page" to="152">152</biblScope></imprint><idno type="ISSN">0040-5744</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0040-5744</idno></seriesStmt></fileDesc><profileDesc><textClass></textClass><langUsage><language ident="en">en</language></langUsage></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Summary: Constrained anisotropic dipole oscillator strength distribution techniques are discussed and applied to obtain reliable results for a wide variety of the anisotropic and isotropic dipole properties of H2 and N2. These include the dipole oscillator strength sumsS k, k=2, 1, −1/2(−1/2) −2, −3, −4, ..., the logarithmic dipole sumsL k and mean excitation energiesI k, k=2(−1) − 2, and, as a function of wavelength, the dynamic polarizability and the associated anisotropy, the total depolarization ratio, the Rayleigh scattering cross section, and the Verdet constant. The anisotropic components of the DOSD for a molecule are obtained from a given recommended isotropic DOSD by using a constrained least squares procedure and a series of known anisotropic constraints. Assuming that sufficient input is available, the constrained DOSD approach used in this paper is the only available method for the reliable evaluation ofall the relevant anisotropic and isotropic dipole properties for a wide variety of atoms and molecules.</div></front></TEI><affiliations><list><country><li>Canada</li></country></list><tree><country name="Canada"><noRegion><name sortKey="Kumar, Ashok" sort="Kumar, Ashok" uniqKey="Kumar A" first="Ashok" last="Kumar">Ashok Kumar</name></noRegion><name sortKey="Kumar, Ashok" sort="Kumar, Ashok" uniqKey="Kumar A" first="Ashok" last="Kumar">Ashok Kumar</name><name sortKey="Meath, William J" sort="Meath, William J" uniqKey="Meath W" first="William J." last="Meath">William J. Meath</name><name sortKey="Meath, William J" sort="Meath, William J" uniqKey="Meath W" first="William J." last="Meath">William J. Meath</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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