Journal of Chemical Physics, Vol.102, No.19, 7409-7417, 1995
On the Direct Calculation of Thermal Rate Constants
Keywords:DISCRETE VARIABLE REPRESENTATION;TRANSITION-STATE THEORY;FLUX CORRELATION-FUNCTIONS;ARRANGEMENT DECOUPLING POTENTIALS;CUMULATIVE REACTION PROBABILITY;DEPENDENT SCHRODINGER-EQUATION;IMAGINARY ABSORBING POTENTIALS;BIMOLECULAR REACTIONS;BOUNDARY-CONDITIONS;EIGENVALUE PROBLEM