4.6 Article

Calculation of adiabatic polarization of atomic photofragments under the influence of long range quadrupole-quadrupole interactions

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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 7, 期 21, 页码 3693-3701

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ROYAL SOC CHEMISTRY
DOI: 10.1039/b509864e

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General equations for diagonalization of the quadrupole-quadrupole interaction matrix for diatomic molecules are presented. Eigenvalue and eigenvector solutions are tabulated for atoms with levels J <= 2. The use of the eigenvector solutions for determination of adiabatic molecule-frame photofragment polarization is illustrated, and polarization parameters a(0)((1)) and a(0)((2)) are tabulated. Even if knowledge of the photofragment scattering matrix is limited, we illustrate how coherent polarization parameters can be calculated from the tabulated adiabatic expansion coefficients, for example, by making use of available experimental data.

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