Mathias P Ljungberg
Mathias P Ljungberg
post doc DIPC, San SebastiŠn
Verified email at ehu.eus
TitleCited byYear
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
11462010
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
5142009
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
1252010
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
1012008
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, LŇ Nšslund, ...
The Journal of chemical physics 125 (24), 244510, 2006
752006
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
732009
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
472011
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
472011
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
442013
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 Iniguez
Journal of Physics: Condensed Matter 25 (30), 305401, 2013
432013
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
402014
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
392010
Semiclassical description of nuclear dynamics in x-ray emission of water
MP Ljungberg, A Nilsson, LGM Pettersson
Physical Review B 82 (24), 245115, 2010
292010
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
282015
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
252015
X-ray emission spectroscopy and density functional study of CO/Fe (100)
J Gladh, H ÷berg, J Li, MP Ljungberg, A Matsuda, H Ogasawara, ...
The Journal of chemical physics 136 (3), 034702, 2012
202012
Assessing the electric-field approximation to IR and Raman spectra of dilute HOD in
MP Ljungberg, AP Lyubartsev, A Nilsson, LGM Pettersson
The Journal of chemical physics 131 (3), 034501, 2009
172009
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
162010
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
102017
Assessment of density-functional tight-binding ionization potentials and electron affinities of molecules of interest for organic solar cells against first-principles GW†…
A Darghouth, M Casida, W Taouali, K Alimi, M Ljungberg, P Koval, ...
Computation 3 (4), 616-656, 2015
102015
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Articles 1–20