Pechukas

Pechukas P 1969 Time-dependent semiclassical scattering theory. I. Potential scattering Phys. Rev. 181 166... 

P Pechukas. In WH Miller, ed. Dynamics of Molecular Collisions, Part B. New York Plenum Press, 1976, pp 269-322. 

The way forward was proposed by Berne and Pechukas [11] many years later. Their important idea was to consider the overlap between two prolate ellipsoidal gaussian distributions. From the expression for this overlap they evaluated a range parameter which was taken to be the contact distance g and a strength parameter which was set equal to the well depth, e. If the orientations of the two rod-like molecules in the laboratory frame are represented by the unit vectors Ui and Uj and the orientation of the intermolecular vector by the unit vector f then the expression for the angular dependence of the contact distance is... 

P. Pechukas and F. J. McLafferty, On transition state theory and the classical mechanics of collinear collisions, J. Chem. Phys. 58, 1622 (1973). 

P. Pechukas and E. Poliak, Classical transition state theory is exact if the transition state is unique, J. Chem. Phys. 71, 2062 (1979). 

P. Pechukas, Statistical approximations in collision theory, in Modern Theoretical Chemistry, Vol. 2, W. H. Miller (ed.), Plenum, New York, 1976, pp. 269-322. 

Pechukas, P. Time-dependent semiclassical scattering theory. II. Atomic collisions, Phys.Rev., 181 (1969), 174-185... 

Considering the semiclassical description of nonadiabatic dynamics, only the mapping approach [99, 100] and the equivalent formulation that is obtained by requantizing the classical electron analog model of Meyer and Miller [112] appear to be amenable to a numerical treatment via an initial-value representation [114, 116, 117, 121, 122]. Other semiclassical formulations such as Pechukas path-integral formulation [45] and the various connection... 

Pechukas, P. Transition-state theory. Ann. Rev. Phys. Chem. 1981, 32, 159-77. 

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