Related papers: Fingerprints for spin-selection rules in the inter…
In this work we calculate the dynamical fluctuations at O(1/N) in the low temperature phase of the $p=2$ spherical spin glass model. We study the large-times asymptotic regimes and we find, in a short time-differences regime, a fluctuation…
Inspired by path integral molecular dynamics, we build a spin model, in terms of spin coherent states, from which we can compute the quantum expectation values of a spin in a constant magnetic field, at finite temperature. This formulation…
We have adapted classical molecular dynamics to study the structural and dynamical properties of amorphous silica surfaces. Concerning the structure, the density profile exhibits oscillations perpendicularly to the surface as observed in…
We investigate the structural and dynamical properties of binary aluminum-titanium liquid metallic alloys, as a function of temperature and composition. We make use of MD-simulations, using a transferable machine-learning potential…
We explore the physical origin and the general validity of a propensity rule for the conservation of the hyperfine spin state in three-body recombination. This rule was recently discovered for the special case of $^{87}$Rb with its nearly…
The adsorption and dissociation of O$_{2}$ molecules at the Be(0001) surface is studied by using density-functional theory within the generalized gradient approximation and a supercell approach. The physi- and chemisorbed molecular…
Field evaporation in atom probe tomography (APT) includes known processes related to surface migration of atoms, such as the so-called roll-up mechanism. They lead to trajectory aberrations and artefacts on the detector. These processes are…
We present a first-principles atomistic thermodynamics framework to describe the structure, composition and segregation profile of an alloy surface in contact with a (reactive) environment. The method is illustrated with the application to…
The interaction between spins in coupled quantum dots is revealed in distinct fine structure patterns in the measured optical spectra of InAs/GaAs double quantum dot molecules containing zero, one, or two excess holes. The fine structure is…
We describe a general technique that allows to induce and control strong interaction between spin states of neighboring atoms in an optical lattice. We show that the properties of spin exchange interactions, such as magnitude, sign, and…
The principle of energy conservation leads to a generalized choice of transition probability in a piecewise adiabatic representation of quantum(-classical) dynamics. Significant improvement (almost an order of magnitude, depending on the…
Collision cross sections and rate constants between two ground- state oxygen molecules are investigated theoretically at translational energies below $\sim 1$K and in zero magnetic field. We present calculations for elastic and spin-…
Doped ZnO is a promising material for spintronics applications. For such applications, it is important to understand the spin dynamics and particularly the spin coherence of this II-VI semiconductor. The spin lifetime $\tau_{s}$ has been…
We performed angle resolved photoemission (ARPES) studies on Cu(111) and Au(111) surface states with circularly polarized light. Existence of local orbital angular momentum (OAM) is confirmed as has been predicted to be broadly present in a…
The nature of light-matter interaction is governed by the spatial-temporal structures of a light field and material wavefunctions. The emergence of the light beam with transverse phase vortex, or equivalently orbital angular momentum (OAM)…
Model-independent identities and inequalities relating the various spin observables of a reaction are reviewed in a unified formalism, together with their implications for dynamical models, their physical interpretation, and the quantum…
We investigate the prospect of using ultracold alkali diatomic molecules to implement many-body quantum systems with SU($N$) symmetry. Experimentally accessible molecules offer large $N$ for both bosonic and fermionic systems, with both…
We study the dependency of the quantum spin dynamics on the particle number in a system of ultracold spin-1 atoms within the single-spatial-mode approximation. We find, for all strengths of the spin-dependent interaction, convergence…
The successful use of molecular dyes for solar energy conversion requires efficient charge injection, which in turn requires the formation of states with sufficiently long lifetimes (e.g. triplets). The molecular structure elements that…
First-principles density-functional theory and supercell models are employed to calculate the adsorption of water molecules on the Cu(100) surface. In agreement with the experimental observations, the calculations show that a H2O molecule…