Soft X-ray irradiation of molecules causes electronic core-level vacancies through photoelectron emission. In light elements, such as C, N, or O, which are abundant in the biosphere, these vacancies predominantly decay by Auger emission, leading inevitably to dissociative multiply charged states. It was recently demonstrated that an environment can prevent fragmentation of core-level-ionised small organic molecules through immediate non-local decay of the core hole, dissipating charge and energy to the environment.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
The coupling of matter to the quantized electromagnetic field of a plasmonic or optical cavity can be harnessed to modify and control chemical and physical properties of molecules. In optical cavities, a term known as the dipole self-energy (DSE) appears in the Hamiltonian to ensure gauge invariance. The aim of this work is twofold.
View Article and Find Full Text PDFWe investigate a trapped mixture of Bose-Einstein condensates consisting of a multiple number of P species. To be able to do so, an exactly solvable many-body model is called into play. This is the P-species harmonic-interaction model.
View Article and Find Full Text PDFFree molecules undergo processes with photons; in particular, they can undergo photoionization and photodissociation, which are relevant processes in nature and laboratory. Recently, it has been shown that in a cavity, the reverse process of photoionization, namely, electron capture becomes highly probable. The underlying mechanism is the formation of a hybrid resonance state.
View Article and Find Full Text PDFEnergy-transfer processes can be viewed as being due to the emission of a virtual photon. It is demonstrated that the emission of virtual photons and thus of energy transfer is stimulated by the sheer presence of photons. We concentrate here on interatomic/intermolecular Coulombic decay (ICD) where an excited system relaxes by transferring its excess energy to a neighbor ionizing it.
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