Energy range outside of which the potential energy is cut off. Each kinetic energy is also cut off if it exceeds e_max − e_min. Mainly of importance for the Chebychev propagator, see here. For the source code of the corresponding classdef see here.
Property | Explanation | Default |
---|---|---|
e_max | The potential is truncated above this energy value | +Infinity |
e_min | The potential is truncated below this energy value | −Infinity |
For a more in-depth explanation of how to optimally choose the time steps, along with a discussion of truncating the Hamiltonian in WavePacket, the interested reader is referred to our Wiki page on these issues.
Wiki: Reference.Variables.hamilt
Wiki: Users.Truncation.Main