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physics.comp-ph2018
Comparison between Density Functional Theory and Density Functional Tight Binding approaches for finding the muon stopping site in organic molecular crystals
Simone Sturniolo, Leandro Liborio, Samuel Jackson
Finding the possible stopping sites for muons inside a crystalline sample is a key problem of muon spectroscopy. In a previous work, we suggested a computational approach to this p…
physics.comp-ph2018
The Lorentz sphere visualized
Simone Sturniolo, Jonathan Yates
From the inception of Nuclear Magnetic Resonance as a spectroscopic technique, the local origin of chemical shifts has been a topic of discussion. A useful concept employed to desc…