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Publications associées (24)
Many-Body Self-Interaction and Polarons
Alfredo Pasquarello, Stefano Falletta
We address the many-body self-interaction in relation to polarons in density functional theory. Our study provides (i) a unified theoretical framework encompassing many-body and one-body forms of self-interaction and (ii) an efficient semilocal scheme for ...
2022Polarons free from many-body self-interaction in density functional theory
Alfredo Pasquarello, Stefano Falletta
We develop a unified theoretical framework encompassing one-body and many-body forms of self-interaction. We find an analytic expression for both the one-body and the many-body self-interaction energies, and quantitatively connect the two expressions throu ...
2022Neurovascular stent artifacts in 3D-TOF and 3D-PCMRI: Influence of stent design on flow measurement
Mohamed Farhat, Pierre Bouillot, Hasan Yilmaz
Purpose: The morphological and hemodynamic evaluations of neurovascular diseases treated with stents would benefit from noninvasive imaging techniques such as 3D time-of-flight MRI (3D-TOF) and 3D phase contrast MRI (3D-PCMRI). For this purpose, a comprehe ...
WILEY2019To bend or not to bend, the dilemma of multiple bonds
Beyond the second row of the periodic table, the nature of the multiple bonds between the elements of the main groups remains yet elusive, and "non-classical" bonding schemes are often invoked for their description. Here, focusing on group 14, we have perf ...
ROYAL SOC CHEMISTRY2019