Related papers: Characterization of agostic interactions in theory…
Time-dependent light-matter interactions are a widespread means by which to describe controllable experimental operations. They can be viewed as an approximation in which a third system - the control system - is treated as external within…
Trapping of atoms and molecules in electrostatic, magnetic and optical traps has enabled studying atomic and molecular interactions on a timescale of many seconds, allowing observations of ultra-cold collisions and reactions. Here we report…
It has recently become possible to form molecules in ultracold gases of trapped alkali metal atoms. Once formed, the molecules may undergo elastic, inelastic and reactive collisions. Inelastic and reactive collisions are particularly…
We present linear ensembles of dangling bond chains on a hydrogen terminated Si(100) surface, patterned in the closest spaced arrangement allowed by the surface lattice. Local density of states maps over a range of voltages extending…
Large ensembles of points with Coulomb interactions arise in various settings of condensed matter physics, classical and quantum mechanics, statistical mechanics, random matrices and even approximation theory, and give rise to a variety of…
We develop an atomistic, nearest-neighbor sp3s* tight-binding Hamiltonian to investigate the electronic structure of dilute bismide alloys of GaP and GaAs. Using this model we calculate that the incorporation of dilute concentrations of Bi…
Anomalous metals are observed in numerous experiments on disordered two-dimensional systems proximate to superconductivity. A characteristic feature of an anomalous metal is that its low temperature conductivity has a weakly temperature…
Theories of dark matter that support bound states are an intriguing possibility for the identity of the missing mass of the Universe. This article proposes a class of models of supersymmetric composite dark matter where the interactions…
In liquid pnictogens, quasi-stable structures can be formed near melting temperature. The nature of their stability does not have the unified point of view. In the present work, the task of determining the degree of atomic bonding in these…
We study collisions in an optically trapped, pure sample of ultracold Cs$_2$ molecules in various internal states. The molecular gas is created by Feshbach association from a near-degenerate atomic gas, with adjustable temperatures in the…
Partial atomic charges are a useful and intuitive concept for understanding molecular properties and chemical reaction mechanisms, showing how changes in molecular geometry can affect the flow of electronic charge within a molecule.…
We consider the effect of Coulomb interactions on the average density of states (DOS) of disordered low-dimensional metals for temperatures T and frequencies omega smaller than the inverse elastic life-time. Using the fact that long-range…
We investigate the properties of the spectral function A(omega,U) of correlated electrons within the Hubbard model and dynamical mean-field theory. Curves of A(omega,U) vs. omega for different values of the interaction U are found to…
We consider tunneling of two interacting atoms with an even spatial symmetry. The atoms are prepared in two lowest excited states with respect to relative and center-of-mass motions. We observe monotonic and non-monotonic dependence of the…
We applied coherence analysis to molecular dynamics simulations of the plant protein crambin, a thionin storage protein found in Abyssinian cabbage. Coherence analysis was developed by engineers to identify linear interactions, without…
Late transition-metal oxides with small charge-transfer energy $\Delta$ raise issues for state-of-the-art correlated electronic structure schemes such as the combination of density functional theory (DFT) with dynamical mean-field theory…
The atomic and electronic structures of the (001)-Si/(001)-gamma-Al2O3 heterointerface are investigated by first principles total energy calculations combined with a newly developed "modified basin-hopping" method. It is found that all…
Theory of Rashba spin-orbit coupling in magnetic metals is worked out from microscopic Hamiltonian describing d-orbitals. When structural inversion symmetry is broken, electron hopping between $d$-orbitals generates chiral ordering of…
We calculate the optical spectra of silicon and germanium in the adiabatic time-dependent density functional formalism, making use of kinetic energy density-dependent (meta-GGA) exchange-correlation functionals. We find excellent agreement…
Atomic collisions are included in an interacting system of optical fields and trapped atoms allowing field amplification. We study the effects of collisions on the system stability. Also a study of the degree of entanglement between atomic…