2 papers
physics.chem-ph2025
Decoherence and vibrational energy relaxation of the electronically excited PtPOP complex in solution
Benedikt O Birgisson, Asmus Ougaard Dohn, Hannes Jónsson +1
Understanding the ultrafast vibrational relaxation following photoexcitation of molecules in a condensed phase is essential to predict the outcome and improve the efficiency of pho…
cond-mat.mtrl-sci2024
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…