A Chebychev propagator for inhomogeneous Schrödinger equations.
A propagation scheme for time-dependent inhomogeneous Schrödinger equations is presented. Such equations occur in time dependent optimal control theory and in reactive scattering. A formal solution based on a polynomial expansion of the inhomogeneous term is derived. It is subjected to an approximation in terms of Chebychev polynomials. Different variants for the inhomogeneous propagator are demonstrated and applied to two examples from optimal control theory. Convergence behavior and numerical efficiency are analyzed.
Ndong
Mamadou
M
Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany.
Tal-Ezer
Hillel
H
Kosloff
Ronnie
R
Koch
Christiane P
CP