441 citations · 2.9k across the 53 of their papers we have counts for
53 papers
Unbiased Diffusion Monte Carlo for non local operators
Carlos Rodriguez Perez, Valerio Olevano, Francesco Sottile +1
We propose a new mathematically exact method for computing unbiased Diffusion Monte Carlo (DMC) estimates of non-local operators. We demonstrate that the current state-of- the-art…
Excitonic contributions to dark matter-electron scattering
Nora Taufertshöfer, Vanessa Zema, Riccardo Catena +2
We determine whether excitonic effects affect predictions of dark matter (DM)-electron scattering rates by calculating the energy- and momentum-dependent energy-loss function, incl…
Equivariant graph neural network interatomic potential for Green-Kubo thermal conductivity in phase change materials
Sung-Ho Lee, Jing Li, Valerio Olevano +1
Thermal conductivity is a fundamental material property that plays an essential role in technology, but its accurate evaluation presents a challenge for theory. In this work, we de…
Electronic Polarization Effects in Core-Level Spectroscopy
Iskander Mukatayev, Gabriele D'Avino, Benoit Sklenard +2
In X-ray photoelectron spectroscopy (XPS), the injected hole interacts with the electronic polarization cloud induced by the hole itself, ultimately resulting in a lower binding en…
Static self energy and effective mass of the homogeneous electron gas from Quantum Monte Carlo calculations
Markus Holzmann, Francesco Calcavecchia, David M. Ceperley +1
We discuss the methodology of quantum Monte Carlo calculations of the effective mass based on the static self energy, . We then use variational Monte Carlo calculations of…
XPS core-level chemical shift by ab initio many-body theory
Iskander Mukatayev, Florient Moevus, Benoît Sklénard +2
X-ray photoemission spectroscopy (XPS) provides direct information on the atomic composition and stoichiometry by measuring core electron binding energies. Moreover, according to t…