9 citations · 9 across the 4 of their papers we have counts for
5 papers
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…
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…
Electron removal energies in noble gas atoms up to 100 keV: ab initio GW vs XPS
Iskander Mukatayev, Benoît Sklénard, Valerio Olevano +1
X-ray photoelectron spectroscopy (XPS) measures electron removal energies, providing direct access to core and valence electron binding energies, hence probing the electronic struc…
Hydrogen molecule spectrum by many-body GW and Bethe-Salpeter equation
Jing Li, Valerio Olevano
We check the ab initio GW approximation and Bethe-Salpeter equation (BSE) many-body methodology against the exact solution benchmark of the hydrogen molecule H ground state and…
Comparing many-body approaches against the helium atom exact solution
Jing Li, N. D. Drummond, Peter Schuck +1
Over time, many different theories and approaches have been developed to tackle the many-body problem in quantum chemistry, condensed-matter physics, and nuclear physics. Here we u…