instagram

APHDemo

pic-aphdemo

APHDemo is an interactive Windows application for visualization of adiabatic adjustment in APH coordinates for computational studies of vibrational motion and chemical reactions. The application helps to understand the physical meaning of the coordinates without going into complicated math. Corresponding paper has been published in Chemical Physics Letters.

Numerical library used is Math.NET Numerics.

Requirements: .NET Framework 4.5

Download

References:

  1. A. Teplukhin and D. Babikov, Chem. Phys. Lett. 614, 99 (2014)
  2. R. T Pack, Chem. Phys. Lett. 108, 333 (1984)
  3. R. T Pack and G. A. Parker, J. Chem. Phys. 87, 3888 (1987)