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- W2312949698 abstract "In this work we investigate the collision-induced (CI) dipole moment $ensuremath{Delta}{ensuremath{mu}}_{i}(R)$, the CI polarizability tensor $ensuremath{Delta}{ensuremath{alpha}}_{ik}(R)$, and the first dipole-hyperpolarizability tensor $ensuremath{Delta}{ensuremath{beta}}_{ijk}(R)$ of the ${text{H}}_{2}text{-Ar}$ pair as a function of the intermolecular distance $R$, and the relative orientation of the intermolecular vector $stackrel{ifmmode hat{}else ^{}fi{}}{mathbf{R}}$ and the ${text{H}}_{2}$ molecule. For each type of spectroscopy the induction operator should be given in the symmetry adapted form. In our case the components of the CI dipole hyperpolarizability are expressed in such a way that their rotational behavior is unambiguously defined. The above description is based on the spherical rotationally adapted method presented here. Spherical rotationally adapted components $ensuremath{Delta}{ensuremath{beta}}_{ensuremath{lambda}L}^{(s,K)}(R)$ of the vector $(K=1)$ and the septor $(K=3)$ parts of the first dipole-hyperpolarizability tensor $ensuremath{Delta}mathbit{ensuremath{beta}}(R)$ are computed and discussed. Results are applied to the case of ${text{H}}_{2}text{-Ar}$ pair. Asymptotic long-range analytical formulas are proposed for the multipole-induced spherical rotationally adapted components $ensuremath{Delta}{ensuremath{beta}}_{ensuremath{lambda}L}^{(s,K)}(R)$ of $ensuremath{Delta}mathbit{ensuremath{beta}}(R)$, respectively. Reasonable agreement is observed between the long-range analytical and ab initio numerical data." @default.
- W2312949698 created "2016-06-24" @default.
- W2312949698 creator A5076584684 @default.
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- W2312949698 date "2009-04-02" @default.
- W2312949698 modified "2023-09-23" @default.
- W2312949698 title "Rotationally adapted studies of<i>ab initio</i>–computed collision-induced hyperpolarizabilities: The<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mtext>H</mml:mtext><mml:mn>2</mml:mn></mml:msub><mml:mtext>-Ar</mml:mtext></mml:mrow></mml:math>pair" @default.
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- W2312949698 doi "https://doi.org/10.1103/physreva.79.042704" @default.
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