Abstract
Convergence rates are compared for adiabatic basis sets and conventional free-molecule basis sets for the expansion of the scattering wavefunction in the quantal treatment of a collinear model of vibrationally inelastic He-H 2 scattering. Vibrationally adiabatic basis sets lead to faster convergence (and increased accuracy) than basis sets of asymptotic target eigenfunctions
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have