63 citations · 63 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2003★ 63 cited
A generalized exchange-correlation functional: the Neural-Networks approach
Xiao Zheng, LiHong Hu, XiuJun Wang +1
A Neural-Networks-based approach is proposed to construct a new type of exchange-correlation functional for density functional theory. It is applied to improve B3LYP functional by…
physics.data-an2003
Combined first--principles calculation and neural--network correction approach as a powerful tool in computational physics and chemistry
LiHong Hu, XiuJun Wang, LaiHo Wong +1
Despite of their success, the results of first-principles quantum mechanical calculations contain inherent numerical errors caused by various approximations. We propose here a neur…