Semidassical methods

A review of the semidassical method is given by Cottrell and McCoubrey [9] and by Rapp and Kassal [13]. In this method, the translational motion is treated classically, while the molecule BC is assumed to have quantized vibrational levels. By converting the force V (x) on the oscillator due to the incident atom to V (t) by utilization of the classical trajectory x(t), one may apply time dependent perturbation theory. The wave function for the perturbed system is written as a sum of the stationary-state wave functions Y (y)exp( —icojf), with coefficients ck given by... 

Testing the accuracy of practical semidassical methods Variational transition state theory with optimized multidimensional tunneling, in Modem Methods for Multidimensional Dynamics Computations in Chemistry,... 

Figure 3.23 Collision numbers for CO and the halogen compared with experimental data of other investigators (see text). Solid lines semidassical theory with Morse potential parameter and chosen for best fit broken lines SSH theory, method B, using Lennard-Jones parameters and Za = 3.

K. Sohlberg and R. B. Shirts, /. Chem. Phys., 101,7763 (1994). Semidassical C andzation of a Nonintegrable System Pushing the Fourier Method into the Chaotic Regime. 

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