Sary Banjak¹ and Vadim Savva²

^1,2 Department of Higher Mathematics, Belarusian State Technological University, Minsk, Belarus.

The algorithm is presented to solve dynamical equations for excitation of molecular models with multiple energy levels. It uses only discrete structures: discrete orthogonal polynomials constructed specially in Fourier space of the probability amplitudes, discrete Fourier transform and leads to exact solution of the differential equations and to discrete distribution of the quantum systems by energy levels.