9 citations · 19 across the 4 of their papers we have counts for
4 papers
Anharmonic Vibrational States of Double-Well Potentials in the Solid State from DFT Calculations
Davide Mitoli, Maria Petrov, Jefferson Maul +3
We introduce a general approach for the simulation of quantum vibrational states of (symmetric and asymmetric) double-well potentials in molecules and materials for thermodynamic a…
Spin-currents via the gauge-principle for meta-generalized-gradient exchange-correlation functionals
Jacques K. Desmarais, Jefferson Maul, Bartolomeo Civalleri +3
The prominence of density functional theory (DFT) in the field of electronic structure computation stems from its ability to usefully balance accuracy and computational effort. At…
Anharmonic Terms of the Potential Energy Surface: A Group Theoretical Approach
Davide Mitoli, Jefferson Maul, Alessandro Erba
In the framework of density functional theory (DFT) simulations of molecules and materials, anharmonic terms of the potential energy surface are commonly computed numerically, with…
QCD improved determination of the hadronic contribution to the anomalous magnetic moment of the muon
S. Groote, J. G. Körner, J. Maul
We present the results of a new evaluation of the anomalous magnetic moment a_mu=(g_mu-2)/2 of the muon where the role of input data needed in the evaluation is lowered in the inte…