Reference.Variables.time.corr

Variable "time.corr" in MATLAB/Octave version of WavePacket

This structured(!) variable contains information mainly on the choice and parametrization of the initial wave function in the case where the initial wave function is to be constructed as a fully correlated function. Below is a description of the classdef's and their settable properties; you can also find the complete list of model wave functions in the corresponding package folder.

init.gauss_corr	Sum over Gaussian wavepackets of the form given below. First three parameters are matrices of size (N,space.n_dim) with entries (g,k)	default
pos_0	Matrix of the mean position Xgk	n. a.
mom_0	Matrix of the mean momenta Kgk	0
width	Matrix of the widths of the Gaussian packets Wgk	n. a.
factor	Vector (length N) of coefficients Cg for the Gaussian packets	1

init.load	Loads the initial wave function from the results of a previously saved calculation. Note that the grids of the two calculations must be identical	default
dir	Directory where the calculation is saved	as specified in main class
file	File name template of the saved calculation	as specified in main class
index	Optional: Supplying this loads the wave function at main time step ''index'', with a value of one denoting the initial time of the saved calculation	n. a.
channel	Optional: If set, this array determines which of the (coupled) channels should be populated with the data from the saved calculation. The wave function is set to zero on all other channels	load all (coupled) channels.
mom_0	Optional: If set, this row(!) vector defines a shift k0 of the (coupled) wave function(s) in momentum space by multiplication with exp(ik0r)	n.a.

init.interp	Interpolates the initial wave function from data supplied in a text file. See the manual for the details on the details of the interpolation	default
pos_conv	Conversion factor for the coordinates. The coordinate data in the file is assumed to be given in units of ''conv'' Bohr radii	1
method	String that specifies the interpolation method to use	'spline'
n_pts	For n_dim>1 this row(!) vector gives the number of grid points in the file along each degree of freedom	n. a.
mom_0	Optional: If set, this row(!) vector defines a shift k0 of the (coupled) wave function(s) in momentum space by multiplication with exp(ik0r)	n.a.