Raw data to accompany the paper "Unveiling the scaling laws behind spin-phonon enhanced decorrelation in spin chains"

Version 2.0
Srpak, Ilija, 2025, "Raw data to accompany the paper "Unveiling the scaling laws behind spin-phonon enhanced decorrelation in spin chains"", https://doi.org/10.17617/3.CJINMF, Edmond, V2
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Description
Classical.zip and Quantum.zip : Spin-spin correlation function values, in classical and quantum regimes, algebraic (non-dimerized) and exponential (dimerized) regimes, done with harmonic forces and spin forces (Full) or harmonic forces only (Potential_Only) or fixed at the minimum (Minimum).
Uniform_Algebraic : The slopes of the uniform chain used as \alpha_0 depending on the number of points taken for a fit.
Summary : Final fits for the exponents and the associated errors for different regimes, parameters and number of points taken for the underlying slopes.
Einstein_Classical.zip, Cosine_Classical.zip, Einstein_Quantum.zip, Cosine_Quantum.zip : bondlength distributions used to plot Figure 1 and 2
Figure_3_data.zip : data used to plot Figure 3.
SM_Fit.zip : forces calculated with RPSSE and RPED used for Figure 1 in the SM
SM_Bar.zip : forces and errors over trajectories with RPSSE used for the Figures 2 and 3 in the SM
Data_Delta.zip: values and errors for \Delta^2_{sg} and \Delta^2_{sgt} used for Figure 4
Data_Bond.zip: values and errors for bondlength distributions used for Figure 5
Data_S.zip: values and errors for structure factors used for Figure 6
Subject Chemistry; Physics
Related Publication Unveiling the scaling laws behind spin-phonon enhanced decorrelation in spin chains
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Classical.zip
ZIP Archive - 118.2 KB
Published Mar 27, 2025
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MD5: 7d9de2fa487452c0fdef7a898c7c4736
Data for the classical regime. Average_SCF... data are the z components spin-spin correlation functions at the increasing number of site distances. In each folder there is an additional file with a name of the type X_Y_Z (C-classical, A-algebraic, E-exponential, F-force, P-potential_only, M-minimum) with identifiers of the jobs with columns meaning: 1. ordinal number of the job (present in the file name), 2. mass, 3. frequency squared, 4. force constant, 5. spin-phonon coupling, 6. slope for the even site distances fitted on 2 points, 7. slope for the odd site distances fitted on 2 points, 8. slope for the even site distances fitted on 3 points, 9. slope for the odd site distances fitted on 3 points, 10. slope for the even site distances fitted on 4 points, 11. slope for the odd site distances fitted on 4 points.
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Cosine_Classical.zip
ZIP Archive - 9.2 KB
Published Mar 27, 2025
2 Downloads
MD5: 6a27d77e247e3b18bba28bf6faf9528a
Cosine dispersion, classical regime. Discretised probability of a bondlength being found at some value. First and last value represent everything outside of the discretisation range, which is centered at 0 and composed of 86 bins of width 0.02
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Cosine_Quantum.zip
ZIP Archive - 9.5 KB
Published Mar 27, 2025
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MD5: 0902d668aaa58139e12bf262b14f0bd8
Cosine dispersion, quantum regime. Discretised probability of a bondlength being found at some value. First and last value represent everything outside of the discretisation range, which is centered at 0 and composed of 86 bins of width 0.02
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Data_Bond.zip
ZIP Archive - 16.6 KB
Published Nov 5, 2025
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MD5: 441077005740b104955298041f498d2a
Data and errors for Figure 5, each file (of the form *_D_Mass${mass}_Equilibrium_${number of atoms}N_${number of beads}P_0.02 has 88 numbers which represent binned probabilities for bondlength distribution centered on 0 with bin size of 0.05 units of distance
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Data_Delta.zip
ZIP Archive - 5.7 KB
Published Nov 5, 2025
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MD5: 876aa1ec3d6c7b7969161f12ef3c7d2f
Data and errors for Figure 4, each file (of the form *_Onishi_EQ_Mass${mass}_Equilibrium_${number of atoms}N_${number of beads}P_0.02 has two numbers, first refers to \Delta^2_{sg} and second to \Delta^2_{sgt}
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Data_S.zip
ZIP Archive - 559.6 KB
Published Nov 5, 2025
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MD5: 1fb729b52c2748e6c4dab19bcd3ddd3e
Data and errors for Figure 6, the S_{bond} and S_{spin} values and errors are given in files *_Onishi_SB_Mass${mass}_Equilibrium_64N_${number of beads}P_0.02 and *_Onishi_SS_Mass${mass}_Equilibrium_64N_${number of beads}P_0.02 respectively. Each file has 33 rows corresponding to increasing wavenumber from 0 to \pi and 193 columns for mass 10000 and 100 and 192 columns for mass 1, corresponding to imaginary time points starting from 0 and being \beta/384 imaginary time units apart
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Einstein_Classical.zip
ZIP Archive - 8.6 KB
Published Mar 27, 2025
3 Downloads
MD5: 8e845dbbdee021584ce716fc7f7eb891
Einstein dispersion, classical regime. Discretised probability of a bondlength being found at some value. First and last value represent everything outside of the discretisation range, which is centered at 0 and composed of 86 bins of width 0.02
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Einstein_Quantum.zip
ZIP Archive - 9.7 KB
Published Mar 27, 2025
2 Downloads
MD5: 69c0958e1e9b0630ddf0bdb200d69e3c
Einstein dispersion, quantum regime. Discretised probability of a bondlength being found at some value. First and last value represent everything outside of the discretisation range, which is centered at 0 and composed of 86 bins of width 0.02
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Figure3_data.zip
ZIP Archive - 2.2 KB
Published Mar 27, 2025
3 Downloads
MD5: 08c26955d8f7f5a908a68194c0ec76f9
Spin-spin correlations with distance, 000, 040 and 120 in the names refer to the value of g, the spin-phonon coupling, such that g=0.40 is written as 040
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Quantum.zip
ZIP Archive - 269.7 KB
Published Mar 27, 2025
2 Downloads
MD5: ec4721bcf9e8a124bfeba7832776a2ba
Data for the quantum regime. Average_SCF... data are the z components spin-spin correlation functions at the increasing number of site distances. In each folder there is an additional file with a name of the type X_Y_Z (Q-quantum, A-algebraic, E-exponential, F-force, P-potential_only) with identifiers of the jobs with columns meaning: 1. ordinal number of the job (present in the file name), 2. mass, 3. frequency squared, 4. force constant, 5. spin-phonon coupling, 6. slope for the even site distances fitted on 2 points, 7. slope for the odd site distances fitted on 2 points, 8. slope for the even site distances fitted on 3 points, 9. slope for the odd site distances fitted on 3 points, 10. slope for the even site distances fitted on 4 points, 11. slope for the odd site distances fitted on 4 points.
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