相关论文: Mixed-valence correlations in charge-transferring …
Using a theory of polarizable fluids, we extend a variational treatment of an excess electron to the many-electron case corresponding to finite metal concentrations in metal-ammonia solutions (MAS). We evaluate dielectric, optical, and…
We study the melting behavior of charged colloidal crystals, using a simulation technique that combines a continuous mean-field Poisson-Boltzmann description for the microscopic electrolyte ions with a Brownian-dynamics simulation for the…
We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…
We investigate electron transport through a mixed-valence molecular complex in which an excess electron can tunnel between hetero-valent transition metal ions, each having a fixed localized spin. We show that in this class of molecules the…
Using a wave packet propagation approach, we find that the resonant charge transfer process of H^- near a Cu(111) surface is strongly influenced by transient hybrid states. These states originate from an ion-induced confinement parallel to…
We present a combined experimental and theoretical study of the mutual neutralization process in collisions of lithium ions (Li+) with deuterium anions (D-) at collision energies below 1 eV. We employ a merged-beam apparatus to determine…
We determine the structure and melting behavior of supported metallic clusters using an ab initio density-functional-based treatment of intracluster interactions and an approximate treatment of the surface as an idealized smooth plane…
Fusion reactions of heavy ions are investigated by employing a simple stochastic semi-classical model which includes the coupling between relative motion and low frequency collective surface modes of colliding ions similarly to the quantal…
We report the coupled effects of macroion charge discretization and counterion valence in the primitive model for spherical colloids. Instead of considering a uniformly charged surface, as it is traditionally done, we consider a more…
We report the observation of charge-exchange collisions between trapped calcium monohydride molecular ions ($^{40}$CaH$^+$) and ultracold potassium atoms ($^{39}$K) in a hybrid ion-atom trap. The measured charge-exchange rate coefficient is…
This study investigates the lithium conversion behavior of a hydrogen storage material based on vanadium oxide added magnesium hydride. To understand the chemical interaction between vanadium oxide and magnesium hydride, detailed X ray…
The extreme temperatures and energy densities generated by ultra-relativistic collisions between heavy nuclei produce a state of matter with surprising fluid properties. Non-central collisions have angular momentum on the order of…
Angular momentum changing collisions can be suppressed in atoms whose valence electrons are submerged beneath filled shells of higher principle quantum number. To determine whether spin-exchange collisions are suppressed in these "submerged…
We show that in mixed-valence 3d transition metal oxides undergoing a structural transition, the low temperature phase results from an effective ordering of the charge. This arrangement and the quantitative evaluation of the atomic charges…
We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling between the electron and atom dynamics in solid/liquid interfacial systems. The method can describe simultaneously both the quantum…
The mixed alkali or mixed mobile ion effect in glasses manifests itself by strong nonlinear variations of ionic transport properties upon mixing of different types of mobile ions. We develop a theory for this effect based on thermally…
Experiments with cold ion-atom mixtures have recently opened the way for the production and application of ultracold molecular ions. Here, in a comparative study, we theoretically investigate ground and several excited electronic states and…
Entanglement lies at the heart of quantum mechanics and in recent years has been identified as an essential resource for quantum information processing and computation. Creating highly entangled multi-particle states is therefore one of the…
Recent results connected to nuclear collision dynamics, from low up to relativistic energies, are reviewed. Heavy ion reactions offer the unique opportunity to probe the complex nuclear many-body dynamics and to explore, in laboratory…
The electronic structure changes of SmS surfaces under potassium (K) doping are elucidated using synchrotron-based core-level photoelectron spectroscopy and angle-resolved photoelectron spectroscopy (ARPES). The Sm core-level and ARPES…