A finite element implementation of exterior complex scaling for the accurate determination of resonance energies

Scrinzi, Armin; Elander, Nils
March 1993
Journal of Chemical Physics;3/1/1993, Vol. 98 Issue 5, p3866
Academic Journal
An implementation of exterior complex scaling using the finite elements method with high degree polynomials is presented. We apply the method to find the resonances of the potential 7.5r 2e-r and of a phenomenological coupled channel model of the CaH molecule. In both cases the method is quickly convergent and extremely stable numerically. Convergence could be pushed to the point where the real parts of most resonance energies were independent of the complex scaling angle and of the exterior scaling radius within machine precision (14 significant digits). All imaginary parts were stable to at least eight significant digits. Several resonances of CaH which had evaded searches with a finite difference method could be located.


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