Reference.Variables.hamilt.range

Field "hamilt.range" in MATLAB/Octave version of WavePacket

Optional specification of the spectral range of the Hamiltonian. For use in Chebychev propagation only, which uses a normalized Hamiltonian, see here. For the source code of the corresponding classdef see here.

Property	Explanation	Default
e_min	Lower bound of spectral range. If this value is set too high, the Chebychev propagation will diverge; if set too low, the Chebychev propagation will be slow	minimum of the potential energy
e_max	Upper bound of spectral range. By default, this is the sum of the maximum potential and the maximum of the kinetic energies. This guess might be too conservative in some cases which will slow down the Chebychev propagation	maximum of the potential plus maximimum of the kinetic energy

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.