Reference.Variables.hamilt.dip

Variable "hamilt.dip" in the Matlab/Octave version of WavePacket

The dipole moment model classdef's are described here with their settable properties below. You can find the complete list in the corresponding package folder.

dip.cosine	Model function of the form μ(Θ) = f cosn (mΘ+φ). Typically used with angular dynamics of rotors	default
pre	Prefactor f	1
exp	Exponent n	1
mul	Multiplicity m	1
phi	Phase shift φ	0

dip.interp	Interpolates the dipole moment from data given in an external file. See the manual	default
pos_conv	Conversion factor to apply to coordinates. The values in the file are given in units of ''pos_conv'' Bohr radii	1
dip_conv	Conversion factor to apply to dipole moments. The values in the file are given in units of ''dip_conv'' atomic units	1
method	The method to use for interpolation. See the MatLab function ''interp1'' for valid values	''spline''.
n_pts	Array that gives the number of points in the file along each degree of freedom. Can be ignored for one-dimensional data

dip.mecke	Model function for a permanent dipole moment of the form μ = q0 r exp(-r/r0). Requires a single degree of freedom and a single channel.
q_0	Charge parameter q0
r_0	Range parameter r0

dip.taylor	Taylor series expansion of dipole moments. Works for coupled channels and multidimensional grids. Can be specified optionally for x and/or y direction	default
hshift	Horizontal shift: reference position for Taylor expansion A vector containing the values for each degree of freedom	0
vshift	Vertical shift: constant energy offset	0
coeffs	Taylor series coefficients (i.e. derivatives) have to be given as a matrix. The number of rows gives the order after which the Taylor series is truncated. The number of columns must equal the number of dimensions of the grid.	0