相关论文: Effective potentials for 6-coordinated Boron: stru…

Determination of the electric potential of insulated conducting objects is an important problem both theoretically and practically. For an insulated conducting object in the presence of external charges or charges distributed on the object…

Fixed energy inverse scattering theory has been used to define central and spin-orbit Schr\"odinger potentials for the scattering of 5 eV polarized electrons from Xe atoms. The results are typical for a range of such data; including…

A method is developed for generating pseudopotentials for use in correlated-electron calculations. The paradigms of shape and energy consistency are combined and defined in terms of correlated-electron wave-functions. The resulting energy…

We adopt a global optimization method to predict two-dimensional (2D) nanostructures through the particle-swarm optimization (PSO) algorithm. By performing PSO simulations, we predict new stable structures of 2D boron-carbon (B-C) compounds…

The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled…

The renormalisation group improved Standard Model effective potential in an arbitrary curved spacetime is computed to one loop order in perturbation theory. The loop corrections are computed in the ultraviolet limit, which makes them…

We present a method to efficiently combine the computation of electron-electron and electron-phonon self-energies, which enables the evaluation of electron-phonon coupling at the $G_0W_0$ level of theory for systems with hundreds of atoms.…

The all-order correlation potential method of accurate atomic structure calculations for atoms with one external electron is extended to include one more class of correlation diagrams to all orders. These are the so-called ladder diagrams…

Polaron binding energy and effective mass are calculated in the fractional-dimensional space approach using the second-order perturbation theory. The effect of carrier density on the static screening correction of the electron-phonon…

SU(3) symmetry relations on the recently constructed hyperon-nucleon potentials are used to develop potential models for all possible baryon-baryon interaction channels. The main focus is on the interaction channels with total strangeness…

The prediction of material structure from chemical composition has been a long-standing challenge in natural science. Although there have been various methodological developments and successes with computer simulations, the prediction of…

We continue to investigate the effective potential between a pair of D$p$-branes revolving around each other by using the technique of ${\it partial\ modular\ transformation}$ developed in our previous work. We determine the shape of the…

We generalize the effective potential to scalar field configurations which are proportional to the Hubble parameter of a homogeneous and isotropic background geometry. This may be useful in situations for which curvature effects are…

Ground state structures found in nature are in many cases of high symmetry. But structure prediction methods typically render only a small fraction of high symmetry structures. Especially for large crystalline unit cells there are many low…

According to the correspondence principle, classical mechanics and quantum mechanics agree in the semiclassical limit, although presently it has become more and more clear how intriguing would be to try to fix a boundary between them. Here…

We derive the non-retarded energy shift of a neutral atom for two different geometries. For an atom close to a cylindrical wire we find an integral representation for the energy shift, give asymptotic expressions, and interpolate…

One of the great challenges of modern science is to faithfully model, and understand, matter at a wide range of scales. Starting with atoms, the vastness of the space of possible configurations poses a formidable challenge to any simulation…

A benchmark-quality potential energy curve is reported for the H$_3$ system in collinear nuclear configurations. The electronic Schr\"odinger equation is solved using explicitly correlated Gaussian (ECG) basis functions using an optimized…

We propose an effective model on the basis of a $j$-$j$ coupling scheme to describe local $f$-electron states for realistic values of Coulomb interaction $U$ and spin-orbit coupling $\lambda$, for future development of microscopic theory of…

Due to the inclination for forward gauge radiation, lepton colliders beyond a few TeV are effectively electroweak (EW) boson colliders, suggesting the treatment of EW bosons as constituents of high-energy leptons. In the context of a muon…