Related papers: Characterization of agostic interactions in theory…
We employ density-functional-theory calculations to analyze the interactions between oxygen interstitial atoms and <a>-type screw dislocations (<a> = a<11-20>/3 ) in alpha-titanium, based on investigations of generalized stacking fault…
The dynamics of the interaction between an atom of three levels interacting with a quantized field of two modes in a cavity is studied within the rotating wave approximation, by taking into account experimental values of the accessible…
In order to understand the initial partonic state in proton-nucleus and electron-nucleus collisions, we investigate the total, inelastic, and (quasi-)elastic cross sections in pA and gamma-A collisions, as these observables are insensitive…
Covalent molecules are characterized by directed bonds, which provide stability-of-form to the molecules relative atomic positions. In contrast, bulk metals are characterized by delocalized bonds, where a large number of resonance…
We propose simple analytic, non-orthogonal but selectively orthogonalizable, generalized Laguerre type atomic orbitals, providing clear physical interpretation and near equivalent accuracy with numerical multi-configuration self-consistent…
The interaction of a shock wave with a bubble features in many engineering and emerging technological applications, and has been used widely to test new numerical methods for compressible interfacial flows. Recently, density-based…
How stochastic, microscopic events generate deterministic, macroscopic properties is a fundamental question in physics. We address this question by developing a quantum master equation model for concentrated radical solutions, where random…
We point out that the orbital magnetism has to be taken into account in the description of real 3d-ion compounds. According to the developed by us the Quantum-Atomistic Solid-State (QUASST) theory in compounds containing open…
We study how the bosonic atoms on the excited p-band of an optical lattice are coupled to the lowest s-band and the 2nd excited d-band. We find that in some parameter regimes the atom-atom interactions can cause a dynamical instability of…
Ultracold collisions between Cs atoms and Cs2 dimers in the electronic ground state are observed in an optically trapped gas of atoms and molecules. The Cs2 molecules are formed in the triplet ground state by cw-photoassociation through the…
The electron-electron correlation term in two-atomic collision is the most important, most difficult term to obtain the effective interatomic potential. Generally the H and H collision is a four center problem. It is extremely difficult to…
Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…
This review is devoted to generalization of dynamical mean-field theory (DMFT) for strongly correlated electronic systems towards the account of different types of additional interactions, necessary for correct physical description of many…
Due to coherence, there are strong electromagnetic fields of short duration in very peripheral collisions. They give rise to photon-photon and photon-nucleus collisions with a high flux up to an invariant mass region hitherto unexplored…
The interaction between screw dislocations and oxygen interstitial atoms is studied with ab initio calculations in hexagonal close-packed titanium. Our calculations evidence a strong repulsion when the solute atoms are located in the…
The relationships between thin elements, commutative shells and connections in cubical omega-categories are explored by a method which does not involve the use of pasting theory or nerves of omega-categories (both of which were previously…
Tungsten oxide-organic layered hybrid materials have been studied by infrared and Raman spectroscopy, and demonstrate a difference in bonding nature as the length of the interlayer organic `spacer' molecule is increased.…
Using computer simulations, we identify the mechanisms causing aggregation and structural arrest of colloidal suspensions interacting with a short-ranged attraction at moderate and high densities. Two different non-ergodicity transitions…
The entanglement properties of systems in which elastic and inelastic reactions occur in projectile-target interactions is studied. A new measure of entanglement, the scattering entropy, based on the unitarity of the $S-$matrix (probability…
Manifestation of dynamical instability and Hamiltonian chaos in the fundamental near-resonant matter-radiation interaction has been found analitically and in a Monte Carlo simulation in the behavior of atoms moving in a rigid optical…