Abstract

This paper describes a parallel algorithm for quantum dynamics simulations of three body Coulomb problems. The algorithm has been implemented on a SIMD (single instruction multiple data) computer (MasPar MP1). The algorithm employs the finite-difference and split operator (FD-SPO) method and variable time-step technique. A transformation of wavefunction to polar coordinates and a modified finite-difference method are introduced to reduce the number of the dimension and to handle singularities. The variable-time-step scheme improves the efficiency four times.

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