Split-Operator Fourier Transform (SOFT) program for the course Computational Methods in Molecular Quantum Mechanics CH-452.
Original program written by Sara Bonella.
- fork it
- clone it from your repository
- modify SOFT.c, e.g.,
- grid and time step settings
- initial position and speed
- mass
- potential type (barrier, morse, harmonic)
- compile it with $make
- run SOFT.x
- visualize the output .dat using gnuplot (e.g., $gnuplot psi.gnuplot)
- report any bug!
This is a gaussian wave packet, with a starting position and momentum, hitting a rectangular potential barrier.
