Calculation of scattering amplitudes as continuous functions of energy: [Formula Presented]-matrix theory without a box

McCurdy CW, Rescigno TN, Isaacs WA, Manolopoulos DE

An extension of the Kohn variational method for computing scattering amplitudes is demonstrated that requires only matrix elements of the resolvent of the Hamiltonian between energy-independent test functions. Scattering boundary conditions are imposed by expanding the resolvent in a basis of square-integrable functions and outgoing-wave continuum functions. By employing several continuum basis functions with overlaps defined by suitable analytic continuation, the scattering amplitude can be expressed efficiently over a continuous range of energies. The method described here differs from previous approaches using time-independent wave packets in that the wave packets which generate the initial and final states in this approach can lie within the interaction region. © 1998 The American Physical Society.