Reference.Variables.hamilt.amo

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

The choice of additional multiplicative operator class definitions along with the settable properties is illustrated in this example (for first operator; more are possible as well)

space.amo{1} = amo.interval; 
space.amo{1}.min = 2;      
space.amo{1}.max = 4;

A list of different operators, along with their corresponding parameters are given below. You can find the complete list also by looking into the corresponding package folder.

amo.cosine	Directionality: cosN θ function	default
dof	Index of the degree of freedom to use	1
exp	Value of the exponent N	1
label	Labeling this projector	if exp=1: 'Orientation' if exp=2: 'Alignment' else: ⟨cosN θ⟩

Note: When using a Gauss-Legendre DVR/FBR scheme, the position variable is automatically treated as cos θ

amo.gauss	Product of 1D Gaussians ∏k exp(−(xk-x0k)² / wk²)
width	Width wk of the Gaussians. One entry per degree of freedom k
pos_0	Center x0 of the Gaussian. One entry per degree of freedom k
label	Labeling this projector

amo.interval	Indicator function on a certain interval
min	The lower boundary of the interval on which we project. One entry per degree of freedom
max	The upper boundary of the interval on which we project. One entry per degree of freedom
label	Labeling this projector

amo.reaction	For a chemical reaction A + BC → AB + C where coordinate xBC relates to (bound) reactants where coordinate xAB relates to (bound) products indicator function on the reactant or product space.	default
reac	Index of the degree of freedom belonging to the reactant bond length xBC	1
prod	Index of the degree of freedom belonging to the product bond length xAB	2
side	Set to 'p' for the product side (projector is unity for xAB > xBC) Set to 'r' for the reactant side (projector is unity for xBC > xAB)	'p'
label	Labeling this projector	'Reactant' or 'Product'