Related papers: An Atom-Pair Bond Theory for the Alloying of Metal…
Using the Dirac-Hartree-Fock-Bogoliubov approximation to study nuclear pairing, we have found the short-range correlations of the Dirac $^1$S$_0$ pairing fields to be essentially identical to those of the two-nucleon virtual state at all…
In this paper we obtain the first general multi-component solution to thermodynamic perturbation theory for the case that molecules can participate in cyclic double bonds. In contrast to previous authors, we do not restrict double bonding…
Background: The relativistic Hartree-Fock-Bogoliubov (RHFB) theory has recently been developed and it provides a unified and highly predictive description of both nuclear mean field and pairing correlations. Ground state properties of…
Very few works exist to date on development of a consistent energy-based coupling of atomistic and continuum models of materials in more than one dimension. The difficulty in constructing such a coupling consists in defining a coupled…
We propose a scenario for superconductivity at strong electron-electron attractive interaction, in the case when the increase of the interaction strength promotes the nucleation of the local Cooper pairs and forms a state with a spatially…
We use the Newns-Anderson Hamiltonian to describe many-body electronic processes that occur when hyperthermal alkali atoms scatter off metallic surfaces. Following Brako and Newns, we expand the electronic many-body wavefunction in the…
Electron-hole pair creation by an adsorbate incident on a metal surface is described using \textit{ab initio} methods. The approach starts with standard first principles electronic structure theory, and proceeds to combine classical,…
Ab initio calculations of phenyl dithiol connected to Au, Ag, Pd, and Pt electrodes are performed using non-equilibrium Green's functions and density functional theory. For each metal, the properties of the molecular junction are considered…
Density (or state) dependent pair potentials arise naturally from coarse-graining procedures in many areas of condensed matter science. However, correctly using them to calculate physical properties of interest is subtle and cannot be…
The finite-temperature phase diagram of the attractive Hubbard model is studied by means of the Dynamical Mean Field Theory. We first consider the normal phase of the model by explicitly frustrating the superconducting ordering. In this…
Arrhenius-type plots for multifragmentation process, defined as the transverse energy dependence of the single-fragment emission-probability, -ln(p_{b}) vs 1/sqrt(E_{t}), have been studied by examining the relationship of the parameters…
It is proposed that in high temperature superconductors Cooper pairs form and condense due to the monotonic-oscillatory transition in the pair potential of mean force, which occurs quite generally at high coupling in charge systems. It is…
Short-range correlations in Ag-Pd alloys are investigated by analyzing the {\em ab initio} total energy of fcc based random Ag$_c$Pd$_{1-c}$. Since the information on the atomic interactions is incorporated in the energetics of alloys it is…
This paper introduces a new representation method that is mainly based on chemical bonds among atoms in materials. Each chemical bond and its surrounded atoms are considered as a unified unit or a local structure that is expected to reflect…
The magnetic Aharonov-Bohm effect shows that charged particles may be affected by the vector potential in regions without any electric or magnetic fields [1]. The Aharonov-Bohm effect was experimentally confirmed [2-3] and has been found in…
We have performed Diffusion Quantum Monte Carlo simulations of Li clusters showing that Resonating-Valence-Bond (RVB) pairing correlations between electrons provide a substantial contribution to the cohesive energy. The RVB effects are…
We report on the observation of cold collisions between $^6$Li atoms and Yb$^+$ ions. This combination of species has recently been proposed as the most suitable for reaching the quantum limit in hybrid atom-ion systems, due to its large…
Wavefunctions restricted to electron-pair states are promising models to describe static/nondynamic electron correlation effects encountered, for instance, in bond-dissociation processes and transition-metal and actinide chemistry. To reach…
Bound electron pairs formed due to the peculiarities of the band dispersion of electrons in crystals attract much interest because they can carry charge and spin even in the absence of band conductivity. However, such an important parameter…
A novel phenomenological framework for an efficient estimation of the thermo-electric properties at room temperature and elevated temperatures of body-centered cubic (BCC) transition metal concentrated alloys is proposed in this work. The…