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International Journal of Quantum Chemistry, ISSN 0020-7608, 2005, Volume 103, Issue 3, pp. 354 - 354
The original article to which this Erratum refers was published in International Journal of Quantum Chemistry (2005) 101(6) 793– 801 
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 2005, Volume 103, Issue 3, pp. 354 - 354
Journal Article
ACS Applied Materials & Interfaces, ISSN 1944-8244, 05/2019, Volume 11, Issue 20, pp. 18423 - 18426
Journal Article
Physical Review Letters, ISSN 0031-9007, 01/2018, Volume 120, Issue 3
Journal Article
Journal of Physics: Condensed Matter, ISSN 0953-8984, 12/2017, Volume 29, Issue 50, p. 505702
Journal Article
physica status solidi (RRL) - Rapid Research Letters, ISSN 1862-6254, 08/2019, Volume 13, Issue 8
Formation energies of C, Si, and Ge defects in [beta]-Ga.sub.2O.sub.3 are studied through hybrid functional calculations. The interstitial defects of these... 
Journal Article
physica status solidi (RRL) – Rapid Research Letters, ISSN 1862-6254, 08/2019, Volume 13, Issue 8, p. 1800633
Journal Article
Physical Review B (Condensed Matter and Materials Physics), ISSN 1098-0121, 07/2015, Volume 92, Issue 4
We propose the use of an approximate bootstrap exchange-correlation kernel to account for vertex corrections in self-consistent GW calculations. We show that... 
Kernels | Approximation | Semiconductors | Condensed matter | Mathematical analysis | Insulators | Computational efficiency | Energy gaps (solid state)
Journal Article
Applied Physics Letters, ISSN 0003-6951, 05/2013, Volume 102, Issue 20
Journal Article
Physical Review B, ISSN 1098-0121, 07/2015, Volume 92, Issue 4
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 09/2013, Volume 88, Issue 11
Journal Article
Applied Surface Science, ISSN 0169-4332, 02/2014, Volume 291, pp. 6 - 10
The O center substitutional to As (O ) is addressed through hybrid functional calculations as a candidate defect to explain the Fermi-level pinning in... 
Fermi-level pinning | Hybrid functional | Oxygen defect | GaAs
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 04/2008, Volume 77, Issue 14
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 01/2015, Volume 142, Issue 3, p. 034501
We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal... 
TRANSITION | HEAVY-WATER | HYDROGEN | SELF-DIFFUSION | TEMPERATURE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ICE | MODEL | DENSITY-FUNCTIONAL THEORY | SIMULATION | DEPENDENCE | Water | First principles | Hydrogen-based energy | Radial distribution | Computer simulation | Molecular dynamics | Variations | Bond energy | Reptiles & amphibians | Density | Functionals | Dimers | Distribution functions
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 12/2018, Volume 2, Issue 48, pp. 3281 - 3289
We study the reactivity and the energy level associated with the reduction of the H 2 O&z.rad; + radical cation in liquid water by combining ab initio... 
HYDRATED ELECTRON | POLARONS | CLUSTERS | SPECTROSCOPY | ALIGNMENT | IONIZED WATER | DENSITY-FUNCTIONAL APPROXIMATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | PROTON | EXCHANGE | Water | Water splitting | Energy levels | Aqueous solutions | Computer simulation | Mathematical analysis | Molecular dynamics
Journal Article
Applied Physics Letters, ISSN 0003-6951, 2013, Volume 103, Issue 14, p. 142108
Journal Article
Journal of Physics: Condensed Matter, ISSN 0953-8984, 04/2015, Volume 27, Issue 13, p. 133202
Journal Article
Energy & Environmental Science, ISSN 1754-5692, 01/2018, Volume 11, Issue 1, pp. 101 - 105
To address the slow recombination of photogenerated charges in tetragonal CH3NH3PbI3, the evolution of extra electrons and holes is simulated through advanced... 
Vibrations | Current carriers | Recombination | Molecular dynamics | Cations | Wave functions | Perovskites | Localization | Elongation | Photovoltaics | Electrons
Journal Article
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