Quantum reactive scattering in three dimensions using adiabatically adjusting principal axis hyperspherical coordinates : Periodic distributed approximating functional method for surface functions

@inproceedings{Zhang2002QuantumRS,
  title={Quantum reactive scattering in three dimensions using adiabatically adjusting principal axis hyperspherical coordinates : Periodic distributed approximating functional method for surface functions},
  author={Keming Zhang and Gregory A. Parkera and Donald J. Kouri and David K. Hoffman and Srinivasan S Iyengar},
  year={2002}
}
Periodic distributed approximating functionals are proposed and used to obtain a coordinate representation for the adiabatically adjusting principal axis hyperspherical coordinate kinetic energy operator. The approach is tested and accurate results for adiabatic surface functions for the reaction F1H2→HF1H are calculated and compared to those of some existing methods. © 2003 American Institute of Physics.@DOI: 10.1063/1.1526835 #