Calculation of adiabatic polarization of atomic photofragments under the influence of long range quadrupole-quadrupole interactions.
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 < or = 2. The use of the eigenvector solutions for determination of adiabatic molecule-frame photofragment polarization is illustrated, and polarization parameters a and a are tabulated. Even if knowledge of the photofragment scattering matrix is limited, we illustrate how coherent polarization parameters a0(1) and a0(2) can be calculated from the tabulated adiabatic expansion coefficients, for example, by making use of available experimental data.
Alexander
Andrew J
AJ
School of Chemistry, University of Edinburgh, West Mains Road, Edinburgh, UKEH9 3JJ. andrew.alexander@ed.ac.uk
D000465:Algorithms; D001665:Binding Sites; D003198:Computer Simulation; D008027:Light; D008956:Models, Chemical; D008958:Models, Molecular; D010777:Photochemistry / Q000379:methods*; D011789:Quantum Theory; D012031:Refractometry / Q000379:methods*