3 papers
physics.plasm-ph2024
Dynamical structure factors of Warm Dense Matter from Time-Dependent Orbital-Free and Mixed-Stochastic-Deterministic Density Functional Theory
Alexander J. White
We present the first calculations of the inelastic part of the dynamical structure factor (DSF) for warm dense matter (WDM) using Time-Dependent Orbital-Free Density Functional The…
cond-mat.mtrl-sci2024
Group Conductivity and Nonadiabatic Born Effective Charges of Disordered Metals, Warm Dense Matter, and Hot Dense Plasma
Vidushi Sharma, Alexander J. White
The average ionization state is a critical parameter in plasma models for charged particle transport, equation of state, and optical response. The dynamical or nonadiabatic Born ef…
physics.chem-ph2018
An Improved Ehrenfest Approach to Model Correlated Electron-Nuclear Dynamics
Roman Baskov, Alexander White, Dmitry Mozyrsky
Mixed quantum-classical mechanics descriptions are critical to modeling coupled electron-nuclear dynamics, i.e. non-adiabatic molecular dynamics, relevant to photochemical and phot…