most citedResonant transport in a highly conducting single molecular junction via metal-metal covalent bond

5 citations · 12 across the 4 of their papers we have counts for

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physics.comp-ph2025★ 1 cited

The CP2K Program Package Made Simple

Marcella Iannuzzi, Jan Wilhelm, Frederick Stein +24

CP2K is a versatile open-source software package for simulations across a wide range of atomistic systems, from isolated molecules in the gas phase to low-dimensional functional ma…

physics.comp-ph2025★ 5 cited

Linear and Nonlinear Optical Properties of Molecules from Real-Time Propagation Based on the Bethe-Salpeter Equation

Štěpán Marek, Jan Wilhelm

We present a real-time propagation method for computing linear and nonlinear optical properties of molecules based on the Bethe-Salpeter equation. The method follows the time evolu…