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4 The Treatment of Few-Body Reactions
By the way, state-to-state differential cross sections, generalized cross sections,
as well as bulk properties such as spectral line broadening, diffusion, viscosity,
and virial coefficient can be calculated as well.
4. Hyperangular bound states: It is instructive to calculate the bound state energies
of collinear H 3 atoms at various values of ρ. The eigenfunctions associated with
these energies would be used in an adiabatic basis expansion of the scattering
wavefunction. Use the PKH3 potential energy surface to generate the hyperangular potentials at several ρ ranging from ρ = 2.5a 0 to ρ = 6.0a 0 and plot the
potentials. Then calculate the lowest five bound states for each ρ. Plot the eigenvalues as a function of ρ. Interpret this energy correlation plot.
4 The Treatment of Few-Body Reactions
By the way, state-to-state differential cross sections, generalized cross sections,
as well as bulk properties such as spectral line broadening, diffusion, viscosity,
and virial coefficient can be calculated as well.
4. Hyperangular bound states: It is instructive to calculate the bound state energies
of collinear H 3 atoms at various values of ρ. The eigenfunctions associated with
these energies would be used in an adiabatic basis expansion of the scattering
wavefunction. Use the PKH3 potential energy surface to generate the hyperangular potentials at several ρ ranging from ρ = 2.5a 0 to ρ = 6.0a 0 and plot the
potentials. Then calculate the lowest five bound states for each ρ. Plot the eigenvalues as a function of ρ. Interpret this energy correlation plot.