Methods and Software
Machine Learning for Nuclear Ensembles
Machine learning enables high-precision spectrum simulations.
Quantum chemistry
Why Are Vertical Excitations and Band Maxima Shifted?
Shift between Vexc and Bmax is caused by frequency changes.
Methods and Software
Photoelectron Spectrum Simulations
Methods based on nuclear ensembles allow to simulate steady and time-resolved photoelectron spectra with absolute intensities.