Description
Session Chair: Kieron Burke
TBD
The determination of thermoelectric transport coefficients of dense, partially ionized matter is a great challenge for both experiment and theory. In the past two decades, density functional theory (DFT) has evolved to an efficient tool for making theoretical predictions of properties of matter under extreme conditions. Many of these are of high relevance for modelling the interior states,...
Understanding the electronic transport properties of iron under high temperatures and pressures is essential for constraining geophysical processes. The difficulty of reliably measuring these properties calls for sophisticated theoretical methods that can support diagnostics. We present results of the electrical conductivity within the pressure and temperature ranges found in Earth's core by...
Describing the coupled dynamics of electrons and nuclei beyond the adiabatic approximation is notoriously difficult. Starting from the full Hamiltonian of interacting electrons and nuclei, we first deduce an exact factorization [1] of the electron-nuclear wave function into a purely nuclear wave packet and a many-electron wave function which parametrically depends on the nuclear coordinates...
