The dataset contains data related to the publication "Universality in ionic three-body systems near an ion-atom Feshbach resonance" by Jacek Gębala, Jose P. D'Incao, and Michał Tomza, accepted for publication in Physical Review Letters (DOI: https://doi.org/10.1103/r7hw-27wv).

Data was produced using the own developed code, available publicly (DOI: 10.5281/zenodo.20513980).

The zip file contains the source data for the figures in the associated publication. 
The data consist of the three-body observables in text format obtained by numerically solving the three-body Schrodinger equation in hyperspherical coordinates.

----Figure 1 

The files contain the three-body hyperspherical potentials U_nu(R) for the LiLiBa+ and LiLiBa systems -- displayed in atomic units.
The naming convention of the files:

'prefix'P'n'-ScaLAA='x'-ScaLAI='y'_P'm'_xNP'val'_yNP'val'_RfSVD'val'_RSteps'val'_Ph1_fort.100.dat
where:

'prefix' - indicates whether the file describes the ion-atom (no prefix) or atom-atom ('NoAI_') interaction
'n' - number of s-wave bound states for the 7Li2 interaction 
(L-J potential, C6, C8, C10 coefficients taken from: Yan, et. al, Phys. Rev. A 54, 2824 (1996))
'm' - number of s-wave bound states for the (138Ba-7Li)^+ interaction (C4,C6 coefficients calculated using transition matrix elements taken from: www1.udel.edu/atom/index.html)
'x' - atom-atom (7Li2) input scattering length in [rvdW] units
'y' - atom-ion (138Ba-7Li) input scatteing length in [rs] units, where rs = (2*RedMass*C4)^0.5/2

The remaining parameters are numerical. They include e.g. the number of spline function used in the adiabatic basis set (marked 'val' after xNP or yNP), position of calculation change from the SVD (single variable discretization) method to direct calculation of P,Q-matrices (marked 'val' after RfSVD), and a measure of the number of calculated hyperradial points (marked 'val' after RSteps).

The columns in the files are formatted as follows:
R [Bohr] | U_1(R) [E_h] | ... | U_NN(R) [E_h] | time1 | time2 | time3
where 'NN' is the number of calculated channels, E_h is hartree energy. The last: 'time1', 'time2', 'time3' columns are numerical parameters describing the computing time for each hyperradial point.

----Figures 2 (a)-(b)
	
The files contain the three-body recombination (TBR) rates L_3 for the LiLiBa+ and LiLiBa systems calculated for a set of values aBX, i.e., the 7Li-X scattering length (X = 138Ba or 138Ba+).
The naming convention of the files:

L3_'sign'_'int'_'suffix'.dat

'sign' - indicates whether the data is calculated for the positive ('pos') or negative ('neg') values of aBX.
'int' - indicates whether the file describes the ion-atom ('AI') or atom-atom ('NoAI') interaction
'suffix' - indicates whether the file contains  the total ('Tot') TBR, the TBR into the weakly bound Feshbach molecular state ('w') or the TBR into all deeply bound molecular states summed ('d')
The data for the LiLiBa+ system is multiplied by 1/60956.10920901036, i.e., (r_vdW/r_*)^4 as described in the referenced article.

The columns in the files are formatted as follows:
Abs(aBX) [r_* or r_vdW] | L_3 [cm^6/s] 
Abs(aBX) = absolute value of aBX


----Figures 2 (a)-(b) insets
	
The files contain the product state distribution of TBR, i.e., the partial TBR divided by the total TBR in terms of the molecular final state binding energy.
The file L3_pos_partial_at_aBX=8.dat contains the product state distribution for aBX = +8 r_* for the LiLiBa+ system.
The file L3_neg_partial_at_aBX=-8.dat contains the product state distribution for aBX = -8 r_* for the LiLiBa+ system.

The columns in the files are formatted as follows:
E_mol [E_*] | L_{3i}/L_3 
L_{3i} - partial TBR into a given molecular bound state
L_3 - total TBR
E_mol = molecular final state binding energy
E_* = energy scale as described in the article

----Figure 2 (c)

The files contain the energies E_t of the lowest Efimov state and other three-body bound states for the LiLiBa and LiLiBa+ systems as well as their corresponding width Γ (related to lifetime t of the state by t = \hbar/Γ).
The naming convention of the files:
'state'_'int'.dat

'state' - defines whether the data contains the energies of the Efimov bound state ('efimov'), the two additional trimer states ('trimer1' and 'trimer2'), or the corresponding Feshbach states ('2b')
'int' - indicates whether the file describes the ion-atom ('AI') or atom-atom ('NoAI') interaction
	
The columns in the files are formatted as follows:
1/aBX [1/r_* or 1/r_vdW] | E_t [E_* or E_vdW] | Γ [E_* or E_vdW] (column not present for the Feshbach states)

----Figure 2 (c) inset

The files contain the lifetimes t =\hbar/Γ of the Efimov states for both the LiLiBa and LiLiBa+ systems.
Files are named: lifetime_'int'.dat, where 'int' is defined like above.

The columns in the files are formatted as follows:
1/aBX [1/r_* or 1/r_vdW] | Γ [E_* or E_vdW] | \hbar/Γ [s]

----Figure 3
The files contain the time delay for the LiLiBa and LiLiBa+ systems calculated for aBX = 0.1 [r_* or r_vdW]. 
The results for the neutral system have been multiplied by a factor of 10.

Files are named: density_'int'.dat, where 'int' is defined like above.
The columns in the files are formatted as follows:
E [E_h] | time delay [s]
E = energy

The file references_2b.dat contains the information on two-body molecular states to which the effective potentials W_nu(R) converge at large values of R.
The columns in this file are formatted as follows:
E_b [E_h] | l_eff

E_b - energies of the two-body molecular states
l_eff - angular momentum of the two-body molecular state

----Figure 4 (End Matter)
The files contain the calculated (generalized) effective ranges for the ion-atom and neutral two-body interactions.
Files are named: reff_'int'.dat, where 'int' is defined like above.

The columns in the reff_NoAI.dat file are formatted as follows:
1/a [1/r_vdW] | r_eff [r_vdW] 

The columns in the reff_AI.dat file are formatted as follows:
1/a [1/r_*] | Abs(R_eff^*) [r_vdW] | Abs(c_1^*) | Abs(R_eff^*+32(r_*)^2 ln(0.003/2)/(3 aBX)) [r_vdW]
where:
a - two-body scatteing length
r_eff - effective range
R_eff^* - generalized effective range
c_1^* - linear (~k) coefficient of the ion-atom k cot \delta_0 expansion
