4 papers
Application of SAP-X2C to Spectroscopy and Comparison to Screened Nuclear Spin-Orbit Approximations
Yannick J. Franzke, Christof Holzer
Recently, Surjuse and Valeev [J. Chem. Theory Comput. 22, 3443-3452 (2026).] suggested to use a simple superposition of atomic potentials to account for the two-electron picture-ch…
A Guide to Molecular Properties from the Bethe-Salpeter Equation
Christof Holzer, Yannick J. Franzke
The Bethe-Salpeter equation (BSE) combined with the Green's function GW method has successfully transformed into a robust computational tool to describe light-matter interactions a…
Excited State Properties from the Bethe--Salpeter Equation: State-to-State Transitions and Spin-Orbit Coupling
Paula Himmelsbach, Christof Holzer
The formalism to calculate excited state properties from the -Bethe-Salpeter equation (BSE) method is introduced, providing convenient access to excited state absorption, excit…
A General and Transferable Local Hybrid Functional for Electronic Structure Theory and Many-Fermion Approaches
Christof Holzer, Yannick J. Franzke
Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. The…