| Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Dułak, L Ferrighi, ... Journal of physics: Condensed matter 22 (25), 253202, 2010 | 2059 | 2010 |
| The inhomogeneous structure of water at ambient conditions C Huang, KT Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, ... Proceedings of the National Academy of Sciences 106 (36), 15214-15218, 2009 | 680 | 2009 |
| Theoretical approximations to X-ray absorption spectroscopy of liquid water and ice M Leetmaa, MP Ljungberg, A Lyubartsev, A Nilsson, LGM Pettersson Journal of Electron Spectroscopy and Related Phenomena 177 (2-3), 135-157, 2010 | 169 | 2010 |
| Diffraction and IR/Raman data do not prove tetrahedral water M Leetmaa, KT Wikfeldt, MP Ljungberg, M Odelius, J Swenson, A Nilsson, ... The Journal of chemical physics 129 (8), 084502, 2008 | 116 | 2008 |
| First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides JC Wojdeł, P Hermet, MP Ljungberg, P Ghosez, J Íńiguez Journal of Physics: Condensed Matter 25 (30), 305401, 2013 | 103 | 2013 |
| On the range of water structure models compatible with X-ray and neutron diffraction data KT Wikfeldt, M Leetmaa, MP Ljungberg, A Nilsson, LGM Pettersson The Journal of Physical Chemistry B 113 (18), 6246-6255, 2009 | 94 | 2009 |
| Are recent water models obtained by fitting diffraction data consistent with infrared/Raman and x-ray absorption spectra? M Leetmaa, M Ljungberg, H Ogasawara, M Odelius, LĹ Näslund, ... The Journal of chemical physics 125 (24), 244510, 2006 | 86 | 2006 |
| Core level binding energies of functionalized and defective graphene T Susi, M Kaukonen, P Havu, MP Ljungberg, P Ayala, EI Kauppinen Beilstein journal of nanotechnology 5 (1), 121-132, 2014 | 77 | 2014 |
| An implementation of core level spectroscopies in a real space Projector Augmented Wave density functional theory code MP Ljungberg, JJ Mortensen, LGM Pettersson Journal of Electron Spectroscopy and Related Phenomena 184 (8-10), 427-439, 2011 | 77 | 2011 |
| Vibrational interference effects in x-ray emission of a model water dimer: Implications for the interpretation of the liquid spectrum MP Ljungberg, LGM Pettersson, A Nilsson The Journal of Chemical Physics 134 (4), 044513, 2011 | 55 | 2011 |
| Resonant inelastic X-ray scattering of liquid water A Nilsson, T Tokushima, Y Horikawa, Y Harada, MP Ljungberg, S Shin, ... Journal of Electron Spectroscopy and Related Phenomena 188, 84-100, 2013 | 52 | 2013 |
| Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems MP Ljungberg, P Koval, F Ferrari, D Foerster, D Sanchez-Portal Physical Review B 92 (7), 075422, 2015 | 46 | 2015 |
| Reply to Soper et al.: Fluctuations in water around a bimodal distribution of local hydrogen-bonded structural motifs C Huang, KT Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, ... Proceedings of the National Academy of Sciences 107 (12), E45-E45, 2010 | 45 | 2010 |
| Calculation of the graphene C 1 s core level binding energy T Susi, DJ Mowbray, MP Ljungberg, P Ayala Physical Review B 91 (8), 081401, 2015 | 43 | 2015 |
| A phononic switch based on ferroelectric domain walls JA Seijas-Bellido, C Escorihuela-Sayalero, M Royo, MP Ljungberg, ... Physical Review B 96 (14), 140101, 2017 | 40 | 2017 |
| Semiclassical description of nuclear dynamics in x-ray emission of water MP Ljungberg, A Nilsson, LGM Pettersson Physical Review B 82 (24), 245115, 2010 | 38 | 2010 |
| Complementarity between high-energy photoelectron and L-edge spectroscopy for probing the electronic structure of 5d transition metal catalysts T Anniyev, H Ogasawara, MP Ljungberg, KT Wikfeldt, JB MacNaughton, ... Physical Chemistry Chemical Physics 12 (21), 5694-5700, 2010 | 28 | 2010 |
| X-ray emission spectroscopy and density functional study of CO/Fe (100) J Gladh, H Öberg, J Li, MP Ljungberg, A Matsuda, H Ogasawara, ... The Journal of Chemical Physics 136 (3), 034702, 2012 | 24 | 2012 |
| Core-hole-induced dynamical effects in the x-ray emission spectrum of liquid methanol MP Ljungberg, I Zhovtobriukh, O Takahashi, LGM Pettersson The Journal of Chemical Physics 146 (13), 134506, 2017 | 22 | 2017 |
| Assessment of density-functional tight-binding ionization potentials and electron affinities of molecules of interest for organic solar cells against first-principles GW … AAMHM Darghouth, ME Casida, W Taouali, K Alimi, MP Ljungberg, ... Computation 3 (4), 616-656, 2015 | 22 | 2015 |
