Publications associées (36)

Nonempirical semilocal density functionals for correcting the self-interaction of polaronic states

Alfredo Pasquarello, Stefano Falletta

Through the use of the piecewise-linearity condition of the total energy, we correct the self-interaction for the study of polarons by constructing nonempirical functionals at the semilocal level of theory. We consider two functionals, the gamma DFT and mu ...
Aip Publishing2024

Self-Interaction and Polarons in Density Functional Theory

Stefano Falletta

The electron self-interaction is a long-standing problem in density functional theory and is particularly critical in the description of polarons. Polarons are quasiparticles involving charge localization coupled with self-induced lattice distortions. Sinc ...
EPFL2023

Ray-tracing MRT and human thermophysiology model combination for local discomfort prediction

Dolaana Khovalyg, Arnab Chatterjee, Mohamad Rida

Thermal comfort and discomfort based on the local sensation of different body parts have been an important development in thermal comfort studies from the past decade. The human thermophysiology model can be a handy tool to predict local skin and core temp ...
TU Delft2022

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