Multi surface Split-Operator Fourier Transform (MSOFT) program for the course Computational Methods in Molecular Quantum Mechanics CH-452.

Original program written by Sara Bonella.

HOW TO PLAY WITH IT:

• fork it
• clone it from your repository
• modify MSOFT.c, e.g.,
  • grid and time step settings
  • initial position and speed
  • mass
  • potential type (crossing surfaces, double harmonic)
• compile it with $make
• run MSOFT.x
• visualize the output .dat using gnuplot (e.g., $gnuplot psi.gnuplot)
• report any bug!

EXAMPLE:

This is a gaussian wave packet, with a starting position and momentum, crossing a coupling region between two potential surfaces.