678 citations · 2.3k across the 15 of their papers we have counts for
15 papers
A composite ansatz for the calculation of dynamical structure factor
Yupei Zhang, Chongjie Mo, Ping Zhang +1
We propose an ansatz without adjustable parameters for the calculation of dynamical structure factor. The ansatz combines quasi-particle Green's function, especially the contributi…
Self-energy effects and energy band theory for warm dense matter
Chang Gao, Shen Zhang, X. T. He +4
The energy band structures caused by self-energy shifting that results in bound energy levels broadening and merging in warm dense aluminum and beryllium are observed. An energy ba…
X-ray absorption of liquid water by advanced ab initio methods
Zhaoru Sun, Mohan Chen, Lixin Zheng +7
Oxygen K-edge X-ray absorption spectra of liquid water are computed based on the configurations from advanced ab initio molecular dynamics simulations, as well as an electron excit…
Extended First-Principles Molecular Dynamics Method From Cold Materials to Hot Dense Plasmas
Shen Zhang, Hongwei Wang, Wei Kang +2
An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense…
Molecular Dynamics Simulation of Strong Shock Waves Propagating in Dense Deuterium With the Effect of Excited Electrons
Hao Liu, Yin Zhang, Wei Kang +3
We present a molecular dynamics simulation of shock waves propagating in dense deuterium with the electron force field method [J. T. Su and W. A. Goddard, Phys. Rev. Lett. 99, 1850…
Robust Ferroelectricity in Monolayer Group-IV Monochalcogenides
Ruixiang Fei, Wei Kang, Li Yang
Ferroelectricity usually fades away when materials are thinned down below a critical value. Employing the first-principles density functional theory and modern theory of polarizati…