4 citations · 4 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2026
A Wannier-first approach for extended chiral systems
Yashpal Singh, Juan E. Peralta, Koblar A. Jackson +1
We present a real-space formulation of DFT for extended systems in which localized Wannier-like functions are constructed directly from localized Gaussian basis functions without e…
physics.chem-ph2026★ 4 cited
The rise and fall of stretched bond errors: Extending the analysis of Perdew-Zunger self-interaction corrections of reaction barrier heights beyond the LSDA
Yashpal Singh, Juan E Peralta, Koblar Alan Jackson
Incorporating self-interaction corrections (SIC) significantly improves chemical reaction barrier height predictions made using density functional theory methods. We present a deta…