相关论文: Beyond Born-Mayer: Improved models for short-range…
Simulations of thin film sputter deposition require the separation of the plasma and material transport in the gas-phase from the growth/sputtering processes at the bounding surfaces. Interface models based on analytic expressions or…
Recent experimental results by the Surface Force Apparatus (SFA) have identified a dramatic deviation from previously established theories of simple electrolytes. This deviation, referred to as anomalous underscreening, suggests that the…
Verstraelen et al. (J. Chem. Theory Comput. 12 (2016) 3894-3912) recently introduced a new method for partitioning the electron density of a material into constituent atoms. Their approach falls within the class of atomic population…
We show that dressing polar molecules with a far-off-resonant optical field leads to new types of intermolecular potentials, which undergo a crossover from the inverse-power to oscillating behavior depending on the intermolecular distance,…
We develop a systematic analytical approach on linear and nonlinear pulse propagations in an open Lambda-type molecular system with Doppler broadening. In linear case, by using residue theorem and a spectrum decomposition method, we prove…
Implicit particle-in-cell codes offer advantages over their explicit counterparts in that they suffer weaker stability constraints on the need to resolve the higher frequency modes of the system. This feature may prove particularly valuable…
Background: An accurate way to incorporate long range Coulomb interaction alongside short-range nuclear interaction has been a challenge for theoretical physicists. Purpose: In this paper, we propose a methodology based on the reference…
We propose a new stochastic method to describe low-lying excited states of finite nuclei superposing multiple Slater determinants without assuming generator coordinates a priori. We examine accuracy of our method by using simple BKN…
Nearly all standard force fields employ the 'sum-of-spheres' approximation, which models intermolecular interactions purely in terms of interatomic distances. Nonetheless, atoms in molecules can have significantly non-spherical shapes,…
This mini-review synthesizes our understanding of the equilibrium behavior of particle models with short-range attractive and long-range repulsive (SALR) interactions. These models, which can form stable periodic microphases, aim to…
We employ a field-theoretical approach to analyze the Bose-Hubbard model on a lattice, with a focus on the low-energy properties across the Mott insulator (MI) to superfluid (SF) transition. Prior approaches approximated the partition…
A method for generating angular forces around $\sigma$-bonded transition metal ions is generalized to treat $\pi$-bonded configurations. The theoretical approach is based on an analysis of a ligand-field Hamiltonian based on the moments of…
Within the framework of Fermionic Molecular Dynamics a method is developed to better account for long range tensor correlations in nuclei when working with a single Slater determinant. Single-particle states with mixed isospin and broken…
It is known that binding energies calculated from the Bethe-Salpeter equation in ladder approximation can be reasonably well accounted for by an energy-dependent interaction, at least for the lowest states. It is also known that none of…
We apply the general results of the kinetic theory of systems with long-range interactions to particular systems of physical interest. We consider repulsive and attractive power-law potentials of interaction r^{-\gamma} with \gamma<d in a…
We present new rectangular mixed finite elements for linear elasticity. The approach is based on a modification of the Hellinger-Reissner functional in which the symmetry of the stress field is enforced weakly through the introduction of a…
Supercooled liquids are characterized by relaxation times that increase dramatically by cooling or compression. Many liquids have been shown to obey power-law density scaling, according to which the relaxation time is a function of density…
We perform a systematic analysis of how nonsequential double ionization in intense, linearly polarized laser fields is influenced by the initial states in which both electrons are bound, and by the residual ionic potential. We assume that…
We construct and apply an exchange-correlation functional for the one-dimensional Hubbard model. This functional has built into it the Luttinger-liquid and Mott-insulator correlations, present in the Hubbard model, in the same way in which…
We present an effective field theory (EFT) at leading order to describe light single-$\Lambda$ hypernuclei. Owing to the weak $\Lambda$ binding and to the $\Lambda N$ short interaction range, meson exchange forces are approximated by…