Bending corrected rotating linear model BCRLM

Hayes et al. designed a shared-memory parallel version of their bending-corrected rotating linear model (BCRLM) for calculating approximate quantum scattering results. The computational algorithms and their distribution are nearly identical to what has been presented and will not be repeated.274,282... 

We have not yet implemented the fully adiabatic theory represented by Equation 5. That theory bears some resemblance to the bending-corrected rotating linear model (BCRLM)(16-18). In this model a partial wave hamiltonian is given by... 

We use the Bending-Corrected Rotating Linear Model (BCRLM) to Investigate In detail the way In which resonances may affect the angular distribution of reaction products. Using a lifetime matrix method, we separate the resonant and direct parts of the S matrix, and from the direct part we obtain angular distributions In the absence of the resonance. When applied to the F+H2(v= 0) HF(v =2)+H reaction on the... 

ABSTRACT. We review the theory and applications of the Bending-Corrected Rotating Linear Model (BCRLM) to problems in the quantum description of reactions between atoms and diatomic molecules. 

Bending Corrected Rotating Linear Model BCRLM Neglect Rotations Add bending (Q=0) zero-point energy n... 

In this paper, we will present a detailed analysis of the way In which resonances may affect the angular distribution of the products of reactive collisions. To do this, we have used an approximate three-dimensional (3D) quantum theory of reactive scattering (the Bending-Corrected Rotating Linear Model, or BCRLM) to generate the detailed scattering Information (S matrices) needed to compute the angular distribution of reaction products. We also employ a variety of tools, notably lifetime matrix analysis, to characterize the Importance of a resonance mechanism to the dynamics of reactions. 

The rotating-linear model with corrections for bending zero-point energy (the BCRLM) has been applied recently, to reactions such as H+Ha and F+H2 by Walker and Hayes [12,13]. In this approach, collinear close-coupling calculations are performed using a hamiltonian which has had a centrifugal term, labelled by the orbital quantum number I, added to it. 

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