Journal of Chemical Physics, Vol.100, No.12, 8849-8855, 1994
The Solution of the Time-Dependent Schrodinger-Equation by the (T,T’)-Method - The Use of Global Polynomial Propagators for Time-Dependent Hamiltonians
Using the (t,t’) method as introduced in Ref. 1 [J. Chem. Phys. 99, 4590 (1993)] computational techniques which originally were developed for time independent Hamiltonians can be used for propagating an initial state for explicitly time dependent Hamiltonians. The present paper presents a time dependent integrator of the Schrodinger equation based on a Chebychev expansion, of the operator U(x,t’,t(0)-->t), and the Fourier pseudospectral method for calculating spatial derivatives [(partial derivative(2)/partial derivative x(2)),(partial derivative/partial derivative t’)]. Illustrative numerical examples for harmonic and Morse oscillators interacting with CW and short pulsed laser fields are given.