4 papers
Self-consistent evaluation of the Berry connection for Wannier functions
Martin Thümmler, Thomas Lettau, Alexander Croy +2
The Berry connection is a gauge-dependent quantity frequently used to describe the optical response of solids. Its evaluation requires a k-derivative with respect to the cell perio…
Modeling high-order harmonic generation in quantum dots using a real-space tight-binding approach
Martin Thümmler, Alexander Croy, Ulf Peschel +1
Recently, the size-dependence of high-order harmonic generation (HHG) in quantum dots has been investigated experimentally. In particular, for longer driving wavelengths and QDs sm…
Semiconductor Bloch equations in Wannier gauge with well-behaved dephasing
Martin Thümmler, Thomas Lettau, Alexander Croy +2
The semiconductor Bloch equations (SBEs) with a dephasing operator for the microscopic polarizations are a well established approach to simulate high-harmonic spectra in solids. We…
eminus -- Pythonic electronic structure theory
Wanja Timm Schulze, Sebastian Schwalbe, Kai Trepte +1
In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing…