Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy rangedoi:10.26165/JUELICH-DATA/NHQKSJJülich DATA2025-04-031Anja Haags; Dominik Brandstetter; Xiaosheng Yang; Larissa Egger; Hans Kirschner; Alexander Gottwald; Mathias Richter; Georg Koller; François C. Bocquet; Christian Wagner; Michael G. Ramsey; Serguei Soubatch; Peter Puschnig; F. Stefan Tautz, 2025, "Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy range", https://doi.org/10.26165/JUELICH-DATA/NHQKSJ, Jülich DATA, V1Data used in: Tomographic identification of all molecular orbitals in a wide binding-energy rangedoi:10.26165/JUELICH-DATA/NHQKSJAnja HaagsDominik BrandstetterXiaosheng YangLarissa EggerHans KirschnerAlexander GottwaldMathias RichterGeorg KollerFrançois C. BocquetChristian WagnerMichael G. RamseySerguei SoubatchPeter PuschnigF. Stefan TautzI3731Po 2226/2-1223848855-SFB 1083Ri 804/8-1Synergy Grant Orbital Cinema (101071259)ERC-StG 757634 CM3Jülich DATASubach, SergeySubach, Sergey2025-03-13ChemistryPhysicsWe provide here the raw data used to produce Figures and Tables in <br> <i> Anja Haags, Dominik Brandstetter, Xiaosheng Yang, Larissa Egger, Hans Kirschner, Alexander Gottwald, Mathias Richter, Georg Koller, Francois C. Bocquet, Christian Wagner, Michael G. Ramsey, Serguei Soubatch, Peter Puschnig, and F. Stefan Tautz, </i><br><b> "Tomographic identification of all molecular orbitals in a wide binding-energy range" </b><br> Physical Review B <b>111</b>, 165402 (2025), DOI: 10.1103/PhysRevB.111.165402 <br><br><i> Anja Haags, Dominik Brandstetter, Xiaosheng Yang, Larissa Egger, Hans Kirschner, Alexander Gottwald, Mathias Richter, Georg Koller, Francois C. Bocquet, Christian Wagner, Michael G. Ramsey, Serguei Soubatch, Peter Puschnig, and F. Stefan Tautz, </i><br><b> "Tomographic identification of all molecular orbitals in a wide binding-energy range" </b><br> Physical Review B <b>111</b>, 165402 (2025), DOI: 10.1103/PhysRevB.111.165402bisanthene_Cu110_57eV_fullstack.hdf5Experimental data I(Ekin, kx, ky) combined from raw data cubes sets 1, 2, 3, 4, 5, and 6 and used to produce Figures 6, 7, 10, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, and 24 and Tables III and IV. The data can be visualized and processed using the kMap.py program available from https://github.com/brands-d/kMap application/x-hdf5cube-files_B3LYP.zipZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using B3LYP functional by NWChem quantum chemistry package. They are used to produce Tables I and II. application/octet-streamcube-files_HSE.zipZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using HSE functional by NWChem quantum chemistry package. They are used to produce Figures 4 and 10 and Tables I and II. application/octet-streamcube-files_PBE0.zipZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using PBE0 functional by NWChem quantum chemistry package. They are used to produce Tables I and II. application/octet-streamcube-files_PBE.zipZIP archive contains cube files of 15 pi and 27 sigma orbitals of the isolated bisanthene molecule calculated using PBE functional by NWChem quantum chemistry package. They are used to produce Figures 2, 3, 4, 5, 6, 7, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, and 24 and Tables I and II. application/octet-streamgraphene_HSE_hnu57eV_dE0.08.hdf5The electronic structure of a free-standing graphene calculated using HSE functional. The data set is used to produce Figures 7, 19, 20, 21, 22, 23, and 24. The data can be visualized using the program kMap.py available from https://github.com/brands-d/kMapapplication/x-hdf5pi(0,0)_35eV_allorbitals.txtFigure 13 o: Weighted intensity vs Kinetic energytext/plainpi(0,0)_35eV_bandmap.txtFigure 13 o: Weighted intensity vs Kinetic energytext/plainpi(0,0)_57eV_allorbitals.txtFigure 13 o: Weighted intensity vs Kinetic energytext/plainpi(0,0)_57eV_singleorbital.txtFigure 13 o: Weighted intensity vs Kinetic energytext/plainpi(0,1)_35eV_allorbitals.txtFigure 13 n: Weighted intensity vs Kinetic energytext/plainpi(0,1)_35eV_bandmap.txtFigure 13 n: Weighted intensity vs Kinetic energytext/plainpi(0,1)_57eV_allorbitals.txtFigure 13 n: Weighted intensity vs Kinetic energytext/plainpi(0,1)_57eV_singleorbital.txtFigure 13 n: Weighted intensity vs Kinetic energytext/plainpi(0,2)_35eV_allorbitals.txtFigure 13 l: Weighted intensity vs Kinetic energytext/plainpi(0,2)_35eV_bandmap.txtFigure 13 l: Weighted intensity vs Kinetic energytext/plainpi(0,2)_57eV_allorbitals.txtFigure 13 l: Weighted intensity vs Kinetic energytext/plainpi(0,2)_57eV_singleorbital.txtFigure 13 l: Weighted intensity vs Kinetic energytext/plainpi(0,3)_35eV_allorbitals.txtFigure 12 g: Weighted intensity vs Kinetic energytext/plainpi(0,3)_57eV_allorbitals.txtFigure 12 g: Weighted intensity vs Kinetic energytext/plainpi(0,3)_57eV_singleorbital.txtFigure 12 g: Weighted intensity vs Kinetic energytext/plainpi(1,0)_35eV_allorbitals.txtFigure 13 m: Weighted intensity vs Kinetic energytext/plainpi(1,0)_35eV_bandmap.txtFigure 13 m: Weighted intensity vs Kinetic energytext/plainpi(1,0)_57eV_allorbital.txtFigure 13 m: Weighted intensity vs Kinetic energytext/plainpi(1,0)_57eV_singleorbital.txtFigure 13 m: Weighted intensity vs Kinetic energytext/plainpi(1,1)_35eV_multiorbital.txtFigure 12 j: Weighted intensity vs Kinetic energytext/plainpi(1,1)_57eV_multiorbital.txtFigure 12 j: Weighted intensity vs Kinetic energytext/plainpi(1,1)_57eV_singleorbital.txtFigure 12 j: Weighted intensity vs Kinetic energytext/plainpi(1,2)_35eV_allorbitals.txtFigure 12 h: Weighted intensity vs Kinetic energytext/plainpi(1,2)_57eV_allorbitals.txtFigure 12 h: Weighted intensity vs Kinetic energytext/plainpi(1,2)_57eV_singleorbital.txtFigure 12 h: Weighted intensity vs Kinetic energytext/plainpi(1,3)_35eV_multiorbital.txtFigure 11 c: Weighted intensity vs Kinetic energytext/plainpi(2,0)_35eV_allorbitals.txtFigure 13 k: Weighted intensity vs Kinetic energytext/plainpi(2,0)_35eV_bandmap.txtFigure 13 k: Weighted intensity vs Kinetic energytext/plainpi(2,0)_57eV_allorbitals.txtFigure 13 k: Weighted intensity vs Kinetic energytext/plainpi(2,0)_57eV_singleorbital.txtFigure 13 k: Weighted intensity vs Kinetic energytext/plainpi(2,1)_35eV_multiorbital.txtFigure 12 i: Weighted intensity vs Kinetic energytext/plainpi(2,1)_57eV_multiorbital.txtFigure 12 i: Weighted intensity vs Kinetic energytext/plainpi(2,1)_57eV_singleorbital.txtFigure 12 i: Weighted intensity vs Kinetic energytext/plainpi(2,2)_35eV_multiorbital.txtFigure 11 d: Weighted intensity vs Kinetic energytext/plainpi(2,3)_35eV_multiorbital.txtFigure 11 b: Weighted intensity vs Kinetic energytext/plainpi(3,0)_35eV_allorbitals.txtFigure 12 f: Weighted intensity vs Kinetic energytext/plainpi(3,0)_57eV_allorbitals.txtFigure 12 f: Weighted intensity vs Kinetic energytext/plainpi(3,0)_57eV_singleorbital.txtFigure 12 f: Weighted intensity vs Kinetic energytext/plainpi(3,1)_35eV_allorbitals.txtFigure 12 e: Weighted intensity vs Kinetic energytext/plainpi(3,1)_57eV_allorbitals.txtFigure 12 e: Weighted intensity vs Kinetic energytext/plainpi(3,1)_57eV_singleorbital.txtFigure 12 e: Weighted intensity vs Kinetic energytext/plainpi(4,0)_35eV_multiorbital.txtFigure 11 a: Weighted intensity vs Kinetic energytext/plainset10_11722_bisanthene_Cu110_35eV.txt(set 10) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset11_11720_bisanthene_Cu110_35eV.txt(set 11) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset1_15116_bisanthene_Cu110_57eV.txt(set 1) Experimental raw data cube measured at 57 eV photon energy. Data used for Figures 6, 7, 10, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, and 24 and Tables III and IV. text/plainset12_11739_bisanthene_Cu110_35eV.txt(set 12) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset13_11729_bisanthene_Cu110_35eV.txt(set 13) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset14_11723_bisanthene_Cu110_35eV.txt(set 14) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset15_11725_bisanthene_Cu110_35eV.txt(set 15) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset16_11726_bisanthene_Cu110_35eV.txt(set 16) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset17_11727_bisanthene_Cu110_35eV.txt(set 17) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset2_15114_bisanthene_Cu110_57eV.txt(set 2) Experimental raw data cube measured at 57 eV photon energy. Data used for Figures 6, 7, 10, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, and 24 and Tables III and IV.text/plainset3_15118_bisanthene_Cu110_57eV.txt(set 3) Experimental raw data cube measured at 57 eV photon energy. Data used for Figures 6, 7, 10, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, and 24 and Tables III and IV.text/plainset4_15119_bisanthene_Cu110_57eV.txt(set 4) Experimental raw data cube measured at 57 eV photon energy. Data used for Figures 6, 7, 10, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, and 24 and Tables III and IV.text/plainset5_15120_bisanthene_Cu110_57eV.txt(set 5) Experimental raw data cube measured at 57 eV photon energy. Data used for Figures 6, 7, 10, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, and 24 and Tables III and IV.text/plainset6_15121_bisanthene_Cu110_57eV.txt(set 6) Experimental raw data cube measured at 57 eV photon energy. Data used for Figures 6, 7, 10, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, and 24 and Tables III and IV.text/plainset7_11716_bisanthene_Cu110_35eV.txt(set 7) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset8_11715_bisanthene_Cu110_35eV.txt(set 8) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset9_11714_bisanthene_Cu110_35eV.txt(set 9) Experimental raw data cube measured at 35 eV photon energy. Data used for Figures 10, 11, 12, 13, 19, and 20 and Table III.text/plainset_band-map_11717-bisanthene_Cu110-21Ke-31Ke.txt(set band map) Experimental raw data set measured at 35 eV photon energy. Data used for Figures 5, 10, 13, 19, and 20 and Tables III.text/plainset_band-map_11719-bisanthene_Cu110-18Ke-31Ke.txt(set band map) Experimental raw data set measured at 35 eV photon energy. Data used for Figures 5, 10, 13, 19, and 20 and Tables III.text/plainset_band-map_11731-bisanthene_Cu110-27Ke-41Ke.txt(set band map) Experimental raw data set measured at 45 eV photon energy. Data used for Figure 5 and 10 and Tables III.text/plainset_band-map_11733-bisanthene_Cu110-27Ke-41Ke.txt(set band map) Experimental raw data set measured at 45 eV photon energy. Data used for Figure 5 and 10 and Tables III.text/plainset_band-map_15088-bisanthene_Cu110-37Ke-54Ke.txt(set band map) Experimental raw data set measured at 57 eV photon energy. Data used for Figure 5 and Tables III.text/plainset_band-map_15110-bisanthene_Cu110-37Ke-54Ke.txt(set band map) Experimental raw data set measured at 57 eV photon energy. Data used for Figure 5 and Tables III.text/plainsigma(0,5)_all_pi_and_sigma_orbitals.txtFigure 18 ss: Weighted intensity vs Kinetic energytext/plainsigma(0,5)_all_sigma_orbitals.txtFigure 18 ss: Weighted intensity vs Kinetic energytext/plainsigma(0,5)_MLA.txtFigure 18 ss: Weighted intensity vs Kinetic energytext/plainsigma(0,5)_MonteCarlo.txtFigure 18 ss: Weighted intensity vs Kinetic energytext/plainsigma(0,5)_single_orbital.txtFigure 18 ss: Weighted intensity vs Kinetic energytext/plainsigma(0,6)_all_pi_and_sigma_orbitals.txtFigure 16 q: Weighted intensity vs Kinetic energytext/plainsigma(0,6)_all_sigma_orbitals.txtFigure 16 q: Weighted intensity vs Kinetic energytext/plainsigma(0,6)_MLA.txtFigure 16 q: Weighted intensity vs Kinetic energytext/plainsigma(0,6)_MonteCarlo.txtFigure 16 q: Weighted intensity vs Kinetic energytext/plainsigma(0,6)_single_orbital.txtFigure 16 q: Weighted intensity vs Kinetic energytext/plainsigma(0,7)_all_pi_and_sigma_orbitals.txtFigure 15 k: Weighted intensity vs Kinetic energytext/plainsigma(0,7)_all_sigma_orbitals.txtFigure 15 k: Weighted intensity vs Kinetic energytext/plainsigma(0,7)_MLA.txtFigure 15 k: Weighted intensity vs Kinetic energytext/plainsigma(0,7)_MonteCarlo.txtFigure 15 k: Weighted intensity vs Kinetic energytext/plainsigma(0,7)_single_orbital.txtFigure 15 k: Weighted intensity vs Kinetic energytext/plainsigma(0,8)_all_pi_and_sigma_orbitals.txtFigure 14 a: Weighted intensity vs Kinetic energytext/plainsigma(0,8)_all_sigma_orbitals.txtFigure 14 a: Weighted intensity vs Kinetic energytext/plainsigma(0,8)_MLA.txtFigure 14 a: Weighted intensity vs Kinetic energytext/plainsigma(0,8)_MonteCarlo.txtFigure 14 a: Weighted intensity vs Kinetic energytext/plainsigma(0,8)_single_orbital.txtFigure 14 a: Weighted intensity vs Kinetic energytext/plainsigma(1,5)_all_pi_and_sigma_orbitals.txtFigure 17 x: Weighted intensity vs Kinetic energytext/plainsigma(1,5)_all_sigma_orbitals.txtFigure 17 x: Weighted intensity vs Kinetic energytext/plainsigma(1,5)_MLA.txtFigure 17 x: Weighted intensity vs Kinetic energytext/plainsigma(1,5)_MonteCarlo.txtFigure 17 x: Weighted intensity vs Kinetic energytext/plainsigma(1,5)_single_orbital.txtFigure 17 x: Weighted intensity vs Kinetic energytext/plainsigma(1,7)_all_pi_and_sigma_orbitals.txtFigure 14 e: Weighted intensity vs Kinetic energytext/plainsigma(1,7)_all_sigma_orbitals.txtFigure 14 e: Weighted intensity vs Kinetic energytext/plainsigma(1,7)_MLA.txtFigure 14 e: Weighted intensity vs Kinetic energytext/plainsigma(1,7)_MonteCarlo.txtFigure 14 e: Weighted intensity vs Kinetic energytext/plainsigma(1,7)_single_orbital.txtFigure 14 e: Weighted intensity vs Kinetic energytext/plainsigma(1,8)_all_pi_and_sigma_orbitals.txtFigure 15 j: Weighted intensity vs Kinetic energytext/plainsigma(1,8)_all_sigma_orbitals.txtFigure 15 j: Weighted intensity vs Kinetic energytext/plainsigma(1,8)_MLA.txtFigure 15 j: Weighted intensity vs Kinetic energytext/plainsigma(1,8)_MonteCarlo.txtFigure 15 j: Weighted intensity vs Kinetic energytext/plainsigma(1,8)_single_orbital.txtFigure 15 j: Weighted intensity vs Kinetic energytext/plainsigma(2,4)_all_pi_and_sigma_orbitals.txtFigure 17 w: Weighted intensity vs Kinetic energytext/plainsigma(2,4)_all_sigma_orbitals.txtFigure 17 w: Weighted intensity vs Kinetic energytext/plainsigma(2,4)_MLA.txtFigure 17 w: Weighted intensity vs Kinetic energytext/plainsigma(2,4)_MonteCarlo.txtFigure 17 w: Weighted intensity vs Kinetic energytext/plainsigma(2,4)_single_orbital.txtFigure 17 w: Weighted intensity vs Kinetic energytext/plainsigma(2,5)_all_pi_and_sigma_orbitals.txtFigure 17 s: Weighted intensity vs Kinetic energytext/plainsigma(2,5)_all_sigma_orbitals.txtFigure 17 s: Weighted intensity vs Kinetic energytext/plainsigma(2,5)_MLA.txtFigure 17 s: Weighted intensity vs Kinetic energytext/plainsigma(2,5)_MonteCarlo.txtFigure 17 s: Weighted intensity vs Kinetic energytext/plainsigma(2,5)_single_orbital.txtFigure 17 s: Weighted intensity vs Kinetic energytext/plainsigma(2,7)_all_pi_and_sigma_orbitals.txtFigure 15 l: Weighted intensity vs Kinetic energytext/plainsigma(2,7)_all_sigma_orbitals.txtFigure 15 l: Weighted intensity vs Kinetic energytext/plainsigma(2,7)_MLA.txtFigure 15 l: Weighted intensity vs Kinetic energytext/plainsigma(2,7)_MonteCarlo.txtFigure 15 l: Weighted intensity vs Kinetic energytext/plainsigma(2,7)_single_orbital.txtFigure 15 l: Weighted intensity vs Kinetic energytext/plainsigma(3,0)_all_pi_and_sigma_orbitals.txtFigure 18 z: Weighted intensity vs Kinetic energytext/plainsigma(3,0)_all_sigma_orbitals.txtFigure 18 z: Weighted intensity vs Kinetic energytext/plainsigma(3,0)_MLA.txtFigure 18 z: Weighted intensity vs Kinetic energytext/plainsigma(3,0)_MonteCarlo.txtFigure 18 z: Weighted intensity vs Kinetic energytext/plainsigma(3,0)_single_orbital.txtFigure 18 z: Weighted intensity vs Kinetic energytext/plainsigma(3,4)_all_pi_and_sigma_orbitals.txtFigure 16 r: Weighted intensity vs Kinetic energytext/plainsigma(3,4)_all_sigma_orbitals.txtFigure 16 r: Weighted intensity vs Kinetic energytext/plainsigma(3,4)_MLA.txtFigure 16 r: Weighted intensity vs Kinetic energytext/plainsigma(3,4)_MonteCarlo.txtFigure 16 r: Weighted intensity vs Kinetic energytext/plainsigma(3,4)_single_orbital.txtFigure 16 r: Weighted intensity vs Kinetic energytext/plainsigma(3,5)_all_pi_and_sigma_orbitals.txtFigure 16 o: Weighted intensity vs Kinetic energytext/plainsigma(3,5)_all_sigma_orbitals.txtFigure 16 o: Weighted intensity vs Kinetic energytext/plainsigma(3,5)_MLA.txtFigure 16 o: Weighted intensity vs Kinetic energytext/plainsigma(3,5)_MonteCarlo.txtFigure 16 o: Weighted intensity vs Kinetic energytext/plainsigma(3,5)_single_orbital.txtFigure 16 o: Weighted intensity vs Kinetic energytext/plainsigma(4,3)_all_pi_and_sigma_orbitals.txtFigure 18 y: Weighted intensity vs Kinetic energytext/plainsigma(4,3)_all_sigma_orbitals.txtFigure 18 y: Weighted intensity vs Kinetic energytext/plainsigma(4,3)_MLA.txtFigure 18 y: Weighted intensity vs Kinetic energytext/plainsigma(4,3)_MonteCarlo.txtFigure 18 y: Weighted intensity vs Kinetic energytext/plainsigma(4,3)_single_orbital.txtFigure 18 y: Weighted intensity vs Kinetic energytext/plainsigma(4,4)_all_pi_and_sigma_orbitals.txtFigure 16 n: Weighted intensity vs Kinetic energytext/plainsigma(4,4)_all_sigma_orbitals.txtFigure 16 n: Weighted intensity vs Kinetic energytext/plainsigma(4,4)_MLA.txtFigure 16 n: Weighted intensity vs Kinetic energytext/plainsigma(4,4)_MonteCarlo.txtFigure 16 n: Weighted intensity vs Kinetic energytext/plainsigma(4,4)_single_orbital.txtFigure 16 n: Weighted intensity vs Kinetic energytext/plainsigma(4,6)_all_pi_and_sigma_orbitals.txtFigure 15 g: Weighted intensity vs Kinetic energytext/plainsigma(4,6)_all_sigma_orbitals.txtFigure 15 g: Weighted intensity vs Kinetic energytext/plainsigma(4,6)_MLA.txtFigure 15 g: Weighted intensity vs Kinetic energytext/plainsigma(4,6)_MonteCarlo.txtFigure 15 g: Weighted intensity vs Kinetic energytext/plainsigma(4,6)_single_orbital.txtFigure 15 g: Weighted intensity vs Kinetic energytext/plainsigma(4,7)_all_pi_and_sigma_orbitals.txtFigure 14 d: Weighted intensity vs Kinetic energytext/plainsigma(4,7)_all_sigma_orbitals.txtFigure 14 d: Weighted intensity vs Kinetic energytext/plainsigma(4,7)_MLA.txtFigure 14 d: Weighted intensity vs Kinetic energytext/plainsigma(4,7)_MonteCarlo.txtFigure 14 d: Weighted intensity vs Kinetic energytext/plainsigma(4,7)_single_orbital.txtFigure 14 d: Weighted intensity vs Kinetic energytext/plainsigma(5,2)_all_pi_and_sigma_orbitals.txtFigure 17 t: Weighted intensity vs Kinetic energytext/plainsigma(5,2)_all_sigma_orbitals.txtFigure 17 t: Weighted intensity vs Kinetic energytext/plainsigma(5,2)_MLA.txtFigure 17 t: Weighted intensity vs Kinetic energytext/plainsigma(5,2)_MonteCarlo.txtFigure 17 t: Weighted intensity vs Kinetic energytext/plainsigma(5,2)_single_orbital.txtFigure 17 t: Weighted intensity vs Kinetic energytext/plainsigma(5,3)_all_pi_and_sigma_orbitals.txtFigure 17 u: Weighted intensity vs Kinetic energytext/plainsigma(5,3)_all_sigma_orbitals.txtFigure 17 u: Weighted intensity vs Kinetic energytext/plainsigma(5,3)_MLA.txtFigure 17 u: Weighted intensity vs Kinetic energytext/plainsigma(5,3)_MonteCarlo.txtFigure 17 u: Weighted intensity vs Kinetic energytext/plainsigma(5,3)_single_orbital.txtFigure 17 u: Weighted intensity vs Kinetic energytext/plainsigma(5,6)_all_pi_and_sigma_orbitals.txtFigure 16 p: Weighted intensity vs Kinetic energytext/plainsigma(5,6)_all_sigma_orbitals.txtFigure 16 p: Weighted intensity vs Kinetic energytext/plainsigma(5,6)_MLA.txtFigure 16 p: Weighted intensity vs Kinetic energytext/plainsigma(5,6)_MonteCarlo.txtFigure 16 p: Weighted intensity vs Kinetic energytext/plainsigma(5,6)_single_orbital.txtFigure 16 p: Weighted intensity vs Kinetic energytext/plainsigma(6,0)_all_pi_and_sigma_orbitals.txtFigure 17 v: Weighted intensity vs Kinetic energytext/plainsigma(6,0)_all_sigma_orbitals.txtFigure 17 v: Weighted intensity vs Kinetic energytext/plainsigma(6,0)_MLA.txtFigure 17 v: Weighted intensity vs Kinetic energytext/plainsigma(6,0)_MonteCarlo.txtFigure 17 v: Weighted intensity vs Kinetic energytext/plainsigma(6,0)_single_orbital.txtFigure 17 v: Weighted intensity vs Kinetic energytext/plainsigma(6,1)_all_pi_and_sigma_orbitals.txttext/plainsigma(6,1)_all_sigma_orbitals.txtFigure 15 i: Weighted intensity vs Kinetic energytext/plainsigma(6,1)_MLA.txtFigure 15 i: Weighted intensity vs Kinetic energytext/plainsigma(6,1)_MonteCarlo.txtFigure 15 i: Weighted intensity vs Kinetic energytext/plainsigma(6,1)_single_orbital.txtFigure 15 i: Weighted intensity vs Kinetic energytext/plainsigma(6,2)_all_pi_and_sigma_orbitals.txtFigure 16 m: Weighted intensity vs Kinetic energytext/plainsigma(6,2)_all_sigma_orbitals.txtFigure 16 m: Weighted intensity vs Kinetic energytext/plainsigma(6,2)_MLA.txtFigure 16 m: Weighted intensity vs Kinetic energytext/plainsigma(6,2)_MonteCarlo.txtFigure 16 m: Weighted intensity vs Kinetic energytext/plainsigma(6,2)_single_orbital.txtFigure 16 m: Weighted intensity vs Kinetic energytext/plainsigma(7,0)_all_pi_and_sigma_orbitals.txtFigure 15 h: Weighted intensity vs Kinetic energytext/plainsigma(7,0)_all_sigma_orbitals.txtFigure 15 h: Weighted intensity vs Kinetic energytext/plainsigma(7,0)_MLA.txtFigure 15 h: Weighted intensity vs Kinetic energytext/plainsigma(7,0)_MonteCarlo.txtFigure 15 h: Weighted intensity vs Kinetic energytext/plainsigma(7,0)_single_orbital.txtFigure 15 h: Weighted intensity vs Kinetic energytext/plainsigma(7,1)_all_pi_and_sigma_orbitals.txtFigure 14 f: Weighted intensity vs Kinetic energytext/plainsigma(7,1)_all_sigma_orbitals.txtFigure 14 f: Weighted intensity vs Kinetic energytext/plainsigma(7,1)_MLA.txtFigure 14 f: Weighted intensity vs Kinetic energytext/plainsigma(7,1)_MonteCarlo.txtFigure 14 f: Weighted intensity vs Kinetic energytext/plainsigma(7,1)_single_orbital.txtFigure 14 f: Weighted intensity vs Kinetic energytext/plainsigma(7,2)_all_pi_and_sigma_orbitals.txtFigure 14 c: Weighted intensity vs Kinetic energytext/plainsigma(7,2)_all_sigma_orbitals.txtFigure 14 c: Weighted intensity vs Kinetic energytext/plainsigma(7,2)_MLA.txtFigure 14 c: Weighted intensity vs Kinetic energytext/plainsigma(7,2)_MonteCarlo.txtFigure 14 c: Weighted intensity vs Kinetic energytext/plainsigma(7,2)_single_orbital.txtFigure 14 c: Weighted intensity vs Kinetic energytext/plainsigma(7,3)_all_pi_and_sigma_orbitals.txtFigure 14 b: Weighted intensity vs Kinetic energytext/plainsigma(7,3)_all_sigma_orbitals.txtFigure 14 b: Weighted intensity vs Kinetic energytext/plainsigma(7,3)_MLA.txtFigure 14 b: Weighted intensity vs Kinetic energytext/plainsigma(7,3)_MonteCarlo.txtFigure 14 b: Weighted intensity vs Kinetic energytext/plainsigma(7,3)_single_orbital.txtFigure 14 b: Weighted intensity vs Kinetic energytext/plain