2 papers
physics.chem-ph2023
Capturing the electron-electron cusp with the coupling-constant averaged exchange-correlation hole: A case study for Hooke's atoms
Lin Hou, Tom J. P. Irons, Yanyong Wang +3
In density functional theory the exchange-correlation (XC) energy functional can be defined exactly through the coupling-constant () averaged XC hole $\bar{n}_\text{xc}(\mathbf{…
cond-mat.mtrl-sci2021
Assessing the approach: Beyond with Hedin's full second-order self-energy contribution
Yanyong Wang, Patrick Rinke, Xinguo Ren
We present and benchmark a self-energy approach for quasiparticle energy calculations that goes beyond Hedin's approximation by adding the full second-order self-energy (FSOS-…