10 citations · 10 across the 3 of their papers we have counts for
4 papers
Resolvent Expansions at All Spectral Thresholds for Three-Dimensional Discrete Schrödinger Operators
Yanhong Chen, Sisi Huang, Xiaohua Yao
This paper studies resolvent expansions at all four spectral thresholds for the discrete Schrödinger operator on , where denotes the discrete Laplacian on $\mat…
An Efficient On-the-Fly Nonadiabatic Coupling Framework Integrated into CP2K
Xiaoke He, Hsiao-Yi Tsai, Ziwei Chai +3
Nonadiabatic molecular dynamics (NAMD) is widely used to describe hot electron relaxation and nonradiative recombination processes, but high computational costs limit its applicati…
Sliding and superlubric moiré twisting ferroelectric transition in HfO2
Jie Sun, Yiheng Shen, Tengfei Cao +1
Despite progress in HfO2 thin-film ferroelectrics, issues like high coercive fields persist, and the dynamics of twisted ferroelectricity remain largely unexplored. Here, we explor…
Minimum tracking linear response Hubbard and Hund corrected Density Functional Theory in CP2K
Ziwei Chai, Rutong Si, Mingyang Chen +3
We present the implementation of the Hubbard () and Hund () corrected Density Functional Theory (DFT++) functionality in the Quickstep program, which is part of the CP2…