The polarizability model classdef's are described here with their settable properties below. You can find the complete list in the corresponding package folder.
pol.cosine | Model function of the form α(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 |
pol.taylor | Taylor series expansion of polarizabilities. 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 |
Blog: 2019/02/version-530-released-30-may-2017
Wiki: Reference.Variables.hamilt
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