no code implementations • 18 Jul 2023 • Xingyue Ma, Hongying Chen, Ri He, Zhanbo Yu, Sergei Prokhorenko, Zheng Wen, Zhicheng Zhong, Jorge Iñiguez, L. Bellaiche, Di wu, Yurong Yang
The first-principles-based effective Hamiltonian scheme provides one of the most accurate modeling technique for large-scale structures, especially for ferroelectrics.