DOI: 10.18150/5cq4jy
title: Towards adiabatic-connection interpolation model with broader applicability

description: General informationContact person for questions: Szymon Śmigaemail: szsmiga[at]fizyka.umk.plORCID: 0000-0002-5941-5409Nicolaus Copernicus University in ToruńTitle of the dataset: "Supporting file with the individual values to recreate Fig2 - Fig5 and Fig7, Fig 8 in the article entitled "Towards adiabatic-connection interpolation model with broader applicability"Descripion: Data necessary to recreate Fig2 - Fig5 and Fig7, Fig 8 in https://doi.org/10.1103/PhysRevB.109.235129Keywords used to describe the data topic: density functional theory, correlation functionals, adiabatic connection, genISI2, quasi-2DLanguage information: EnglishData overview:Supporting file with the individual values to recreate Fig2 - Fig5 and Fig7, Fig 8 in the article entitled "Towards adiabatic-connection interpolation model with broader applicability" written by Lucian A. Constantin, Szymon Śmiga, Fabio Della SalaSharing and access informationLicense: CC0 Creative Commons Zero 4.0Link to publications that use the data: https://doi.org/10.1103/PhysRevB.109.235129Recommended citation for the data: Lucian A. Constantin, Szymon Śmiga, Fabio Della Sala, Phys. Rev. B 109, 235129, 2025Methodological informationIndividual values to recreate Fig2 - Fig5 and Fig7, Fig 8 were obtained for various exchange-correlation and correlation functionals. A detailed descripion of the methodology can be found at https://doi.org/10.1103/PhysRevB.109.235129Data-specific informationFile Fig2_top.dat contains data (adiabatic connection integrand data for Hook atom at omega=1/4) necessary to reproduce Fig. 2 (top). Format: alpha genISI2 genISI UEG-ISI ISIFile Fig2_top_exact.dat contains data (exact adiabatic connection integrand data for Hook atom at k=1/4) necessary to reproduce Fig. 2 (top). Format: alpha exactFile Fig2_bottom.dat contains data (adiabatic connection integrand data for Ne) necessary to reproduce Fig. 2 (botoom). Format: alpha genISI2 genISI UEG-ISI ISI CCSD(T)File Fig3_top.dat contains data (the quasi-2D IBM ingredients rs^2D = 1) necessary to reproduce Fig. 3 (top). Format: L/L_max, W_{/Symbol \245} / N, W'_{/Symbol \245} / N, EXX / N, W'_0 / N, ec_LDAFile Fig3_middle.dat contains data (the quasi-2D IBM ingredients rs^2D = 3) necessary to reproduce Fig. 3 (middle). Format: L/L_max, W_{/Symbol \245} / N, W'_{/Symbol \245} / N, EXX / N, W'_0 / N, ec_LDAFile Fig3_bottom.dat contains data (the quasi-2D IBM ingredients rs^2D = 5) necessary to reproduce Fig. 3 (bottom). Format: L/L_max, W_{/Symbol \245} / N, W'_{/Symbol \245} / N, EXX / N, W'_0 / N, ec_LDAFile Fig4_top.dat contains data (correlation energy per particle of the IBM quasi-2D electron gas of fixed 2D electron density rs^2D = 1 and exact 2D value (in second line)) necessary to reproduce Fig. 4 (top). Format: L/L_max genISI2 genISI UEG-ISI revISIFile Fig4_middle.dat contains data (correlation energy per particle of the IBM quasi-2D electron gas of fixed 2D electron density rs^2D = 1 and exact 2D value (in second line)) necessary to reproduce Fig. 4 (middle). Format: L/L_max genISI2 genISI UEG-ISI revISIFile Fig4_bottom.dat contains data (correlation energy per particle of the IBM quasi-2D electron gas of fixed 2D electron density rs^2D = 1 and exact 2D value (in second line)) necessary to reproduce Fig. 4 (bottom). Format: L/L_max genISI2 genISI UEG-ISI revISIFile Fig5_top.dat contains data (2D UEG correlation energy per particle) necessary to reproduce Fig. 5 (top). Format: rs^2D genISI2 LB exactFile Fig5_bottom.dat contains data (Relative errors (in %) of the correlation energy of the 2D UEG) necessary to reproduce Fig. 5 (bottom). Format: rs^2D genISI2 genISI ISI revISI SPL LBFile Fig6.dat contains data (correlation energies of harmonium at various values of ω) necessary to reproduce Fig. 6 . Format: # ω^1/2 Exact  SPL  SPL2  LB  ISI  rISI  UEG-ISI  genISI  genISI2File Fig7.dat contains data (H_2 dissociation curve) necessary to reproduce Fig. 7. Format: R  SPL  LB  ISI  revISI  genISI  genISI2  GL2  R_exact  exact.File Fig8.dat contains data (Absolute relative errors (ARE) on the total energies vs the ARE on atomization energies) necessary to reproduce Fig. 8. Format: total energy (ISI), atomization energy (ISI), total energy (revISI), atomization energy (revISI), total energy (SPL), atomization energy (SPL), total energy (LB), atomization energy (LB), total energy (genISI), atomization energy (genISI), total energy (genISI2), atomization energy (genISI2)