Showing papers by "David E. Manolopoulos published in 2001"
TL;DR: A detailed statistical theory of atom-diatom insertion reactions is derived by combining the early statistical ideas of Pechukas and Light with the coupled-channel capture theory of Clary and Henshaw as mentioned in this paper.
178 citations
TL;DR: In this paper, an efficient method for the practical solution of the sign problem for integrals involved in the semiclassical initial value representation is proposed based on a generalization of the conventional Filinov filtering procedure which has the (approximate) effect of incorporating complex initial conditions into the phase space average; it does this by including an explicit oscillatory term in the filtering function that partially cancels the oscillatory part of the original integrand.
Abstract: An efficient method is proposed for the practical solution of the “sign” problem for integrals involved in the semiclassical initial value representation. It is based on a generalization of the conventional Filinov filtering procedure which has the (approximate) effect of incorporating complex initial conditions into the phase space average; it does this by including an explicit oscillatory term in the filtering function that partially cancels the oscillatory part of the original integrand. A systematic procedure is also described for making an optimal choice of the “smoothing parameters,” thus removing this arbitrariness in the overall approach. Tests on systems with chaotic dynamics demonstrate the accuracy and efficiency of the method.
97 citations