| Parameter-free calculations of X-ray spectra with FEFF9 JJ Rehr, JJ Kas, FD Vila, MP Prange, K Jorissen Physical Chemistry Chemical Physics 12 (21), 5503-5513, 2010 | 1238 | 2010 |
| Ab initio theory and calculations of X-ray spectra JJ Rehr, JJ Kas, MP Prange, AP Sorini, Y Takimoto, F Vila Comptes Rendus Physique 10 (6), 548-559, 2009 | 639 | 2009 |
| Bethe-Salpeter equation calculations of core excitation spectra J Vinson, JJ Rehr, JJ Kas, EL Shirley Physical Review B—Condensed Matter and Materials Physics 83 (11), 115106, 2011 | 341 | 2011 |
| Efficient implementation of core-excitation Bethe–Salpeter equation calculations K Gilmore, J Vinson, EL Shirley, D Prendergast, CD Pemmaraju, JJ Kas, ... Computer Physics Communications 197, 109-117, 2015 | 206 | 2015 |
| Valence Electron Photoemission Spectrum of Semiconductors: Ab Initio <?format ?>Description of Multiple Satellites M Guzzo, G Lani, F Sottile, P Romaniello, M Gatti, JJ Kas, JJ Rehr, ... Physical review letters 107 (16), 166401, 2011 | 187 | 2011 |
| Automated generation and ensemble-learned matching of X-ray absorption spectra C Zheng, K Mathew, C Chen, Y Chen, H Tang, A Dozier, JJ Kas, FD Vila, ... npj Computational Materials 4 (1), 12, 2018 | 128 | 2018 |
| Experimental (XAS, STEM, TPR, and XPS) and theoretical (DFT) characterization of supported rhenium catalysts SR Bare, SD Kelly, F D. Vila, E Boldingh, E Karapetrova, J Kas, ... The Journal of Physical Chemistry C 115 (13), 5740-5755, 2011 | 113 | 2011 |
| Cumulant expansion of the retarded one-electron Green function JJ Kas, JJ Rehr, L Reining Physical Review B 90 (8), 085112, 2014 | 104 | 2014 |
| Many-pole model of inelastic losses in x-ray absorption spectra JJ Kas, AP Sorini, MP Prange, LW Cambell, JA Soininen, JJ Rehr Physical Review B—Condensed Matter and Materials Physics 76 (19), 195116, 2007 | 101 | 2007 |
| Dynamic structure in supported Pt nanoclusters: real-time density functional theory and X-ray spectroscopy simulations F Vila, JJ Rehr, J Kas, RG Nuzzo, AI Frenkel Physical Review B—Condensed Matter and Materials Physics 78 (12), 121404, 2008 | 99 | 2008 |
| Orbital and spin character of doped carriers in infinite-layer nickelates M Rossi, H Lu, A Nag, D Li, M Osada, K Lee, BY Wang, S Agrestini, ... Physical Review B 104 (22), L220505, 2021 | 97 | 2021 |
| Dynamical effects in electron spectroscopy JS Zhou, JJ Kas, L Sponza, I Reshetnyak, M Guzzo, C Giorgetti, M Gatti, ... The Journal of Chemical Physics 143 (18), 2015 | 76 | 2015 |
| Theoretical optical and x-ray spectra of liquid and solid HO J Vinson, JJ Kas, FD Vila, JJ Rehr, EL Shirley Physical Review B—Condensed Matter and Materials Physics 85 (4), 045101, 2012 | 70 | 2012 |
| Ab initio calculations of electron inelastic mean free paths and stopping powers AP Sorini, JJ Kas, JJ Rehr, MP Prange, ZH Levine Physical Review B—Condensed Matter and Materials Physics 74 (16), 165111, 2006 | 65 | 2006 |
| Nonstoichiometric intensities in core photoelectron spectroscopy J Söderström, N Mårtensson, O Travnikova, M Patanen, C Miron, ... Physical Review Letters 108 (19), 193005, 2012 | 64 | 2012 |
| Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set CD Pemmaraju, FD Vila, JJ Kas, SA Sato, JJ Rehr, K Yabana, ... Computer Physics Communications 226, 30-38, 2018 | 63 | 2018 |
| L-edge XANES analysis of photoexcited metal complexes in solution RM Van der Veen, JJ Kas, CJ Milne, VT Pham, A El Nahhas, FA Lima, ... Physical Chemistry Chemical Physics 12 (21), 5551-5561, 2010 | 60 | 2010 |
| A compact dispersive refocusing Rowland circle X-ray emission spectrometer for laboratory, synchrotron, and XFEL applications WM Holden, OR Hoidn, AS Ditter, GT Seidler, J Kas, JL Stein, BM Cossairt, ... Review of Scientific Instruments 88 (7), 2017 | 59 | 2017 |
| Benchmark results and theoretical treatments for valence-to-core x-ray emission spectroscopy in transition metal compounds DR Mortensen, GT Seidler, JJ Kas, N Govind, CP Schwartz, S Pemmaraju, ... Physical Review B 96 (12), 125136, 2017 | 56 | 2017 |
| Polarization dependent high energy resolution X-ray absorption study of dicesium uranyl tetrachloride T Vitova, JC Green, RG Denning, M Löble, K Kvashnina, JJ Kas, ... Inorganic chemistry 54 (1), 174-182, 2015 | 56 | 2015 |
