Reference.Variables.hamilt.eigen

Class definition "hamilt.eigen" in MATLAB/Octave version of WavePacket

Settings for solving the TISE using qm_bound. They are ignored for time-dependent calculations. For the source code of the corresponding classdef see here.

Property	Explanation	Default
cutoff	Entries in the Hamiltonian matrix with absolute values less than this value are set to 0. This option is useful when sparse matrix representations are to be used, see below. In that case, the cutoff can be helpful to increase sparsity by suppressing very small entries in the Hamiltonian matrix	eps (Matlab's machine epsilon for double precision numbers)
storage	Set to 'f' for a full representation of the Hamiltonian matrix: using Matlab's eig function Set to 's' for a sparse representation of the Hamiltonian matrix: using Matlab's eigs function	'f'
choice	Choice of eigenvalues to be obtained from Matlab'seigs function (sparse matrices only): 'sr': smallest real 'sm': smallest magnitude, i.e., smallest absolute 'sigma': search eigenvalues near this number	'sr'
sigma	Compute eigenvalues near this number (option 'sigma' for sparse matrices only)	0
symmetry	Enables restricted symmetry for the solution of the time-independent Schrödinger equation. Set this to 'g' or 'u' to calculate only eigenstates with gerade (even) or ungerade (odd) parity (for each of the DVRs). Or set this to 1...4 for any of the four irreducible representations of the C2h point group (for FFT only). Currently, this works only for one-dimensional problems	No symmetries are enforced, i.e., all eigenstates are calculated, regardless of their symmetry properties
start	The index of the first eigenvector/function that is to be calculated	0 (i.e. the ground state)
stop	The index of the last eigenvector/function that is to be calculated	10