Pade reconstruction of Regge poles from scattering matrix data for chemical reactions

摘要

We describe a practical procedure for analytically continuing a scattering matrix element into the comlex angular momentum plane,given its values at the physical angular momentum quantum numbers of 0,1,2,centre dot centre dot centre dot The procedure first applies a preconditioning function to the scattering matrix element;then the remaining residual function is interpolated using Pade approximations.The method is illustrated by extracting the leading Regge pole position and residue for the state selected reactions Cl + HCl(v = 1,j = 5) -> ClH(v' = 1,j' = 5) + Cl and I + HI(v = 0,j =0) -> IH(v' = 0,j'= 2) + I,where v and j are vibrational and rotational quantum numbers respectively.