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physics.comp-ph2021★ 4 cited
Regularization of Complex Langevin Method
Zhenning Cai, Yang Kuang, Hong Kiat Tan
The complex Langevin method, a numerical method used to compute the ensemble average with a complex partition function, often suffers from runaway instability. We study the regular…
physics.comp-ph2020★ 4 cited
An orthogonalization-free parallelizable framework for all-electron calculations in density functional theory
Bin Gao, Guanghui Hu, Yang Kuang +1
All-electron calculations play an important role in density functional theory, in which improving computational efficiency is one of the most needed and challenging tasks. In the m…