Aron Kuppermann

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The performance of a parallel Gauss-Jordan matrix inversion<supscrpt>1,2</supscrpt> algorithm on the Mark II hypercube<supscrpt>3</supscrpt> at Caltech is discussed. We will show that parallel Gauss-Jordan inversion is superior to parallel Gaussian elimination <italic>for inversion</italic>, and discuss the reasons for this. Empirical and theoretical(More)
Real wave packet propagations were carried out on both a single ground electronic state and two-coupled-electronic states of the title reaction to investigate the extent of nonadiabatic effects on the distinguishable-atom reaction cross sections. The latest diabatic potential matrix of Abrol and Kuppermann [J. Chem. Phys. 116, 1035 (2002)] was employed in(More)
Use of the Caltech/JPL hypercube multicomputer to solve problems in chemical dynamics is the subject of this paper. The specific application is quantum mechanical atom diatomic molecule reactive scattering. One methodology for solving this dynamics problem on a sequential computer is based on symmetrized hyperspherical coordinates. We will discuss our(More)
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