相关论文: The Tersoff potential for extreme environment
Shell corrections of finite, spherical, one-body potentials are analyzed using a smoothing procedure which properly accounts for the contribution from the particle continuum, i.e., unbound states. Since the plateau condition for the…
We use laser-based Angle-Resolved Photoemission Spectroscopy (ARPES) to study how chemical substitution modifies the electronic properties of the Bi2(Se{1-x}Tex)3 (BiSeTe) family of topological insulators. We find that increasing the Te…
Localized heating of a gas by intense laser pulses leads to interesting acoustic, hydrodynamic and optical effects with numerous applications in science and technology, including controlled wave guiding and remote atmosphere sensing.…
Reformulating hyperdynamics without using a transition state theory (TST) dividing surface makes it possible to accelerate conventional molecular dynamics (MD) simulation using a broader range of bias potentials. A new scheme to calculate…
This study presents an extension of the corrected Smagorinsky model, incorporating advanced techniques for error estimation and regularity analysis of far-from-equilibrium turbulent flows. A new formulation that increases the model's…
We study the relativistic version of Schr\"odinger equation for a point particle in 1-d with potential of the first derivative of the delta function. The momentum cutoff regularization is used to study the bound state and scattering states.…
The effect of an externally applied force upon dynamics of dissipative solitons is analyzed in the framework of the one-dimensional cubic-quintic complex Ginzburg-Landau equation supplemented by a linear potential term. The potential…
Background: The tensor interaction is known to play an important role in the nuclear structure studies of exotic nuclei. However, most microscopic studies of low-energy nuclear reactions neglect the tensor force, resulting in a lack of…
ZrSiS has recently gained attention due to its unusual electronic properties: nearly perfect electron-hole compensation, large, anisotropic magneto-resistance, multiple Dirac nodes near the Fermi level, and an extremely large range of…
Self-interactions (SIs) are a major problem in density functional approximations and the source of serious divergence from experimental results. Here, we propose to optimize density functional total energies in terms of the effective local…
A novel analytically solvable deformed Woods-Saxon potential is investigated by means of the Supersymmetric Quantum Mechanics. Hamiltonian hierarchy method and the shape invariance property are used in the calculations. The energy levels…
We propose a new kind of toroidal trap, designed for ultracold atoms. It relies on a combination of a magnetic trap for rf-dressed atoms, which creates a bubble-like trap, and a standing wave of light. This new trap is well suited for…
The Ising model in two dimensions with special toroidal boundary conditions is analyzed. These boundary condition, which we call duality twisted boundary conditions, may be interpreted as inserting a specific defect line ("seam") in the…
The package fhi98PP allows one to generate norm-conserving pseudopotentials adapted to density-functional theory total-energy calculations for a multitude of elements throughout the periodic table, including first-row and transition metal…
Rectified transport of active ellipsoidal particles is numerically investigated in a two-dimensional asymmetric potential. The out-of-equilibrium condition for the active particle is an intrinsic property, which can break thermodynamical…
Given a non-conformal repeller $\Lambda$ of a $C^{1+\gamma}$ map, we study the Hausdorff dimension of the repeller and continuity of the sub-additive topological pressure for the sub-additive singular valued potentials. Such a potential…
A microscopic description is given for the behavior of the fluid system in an immediate vicinity of its critical point, where theoretical and experimental researches are difficult to carry out. For the temperatures $T<T_c$, the regions of…
We derive and test a new heuristic theory for third-order structure functions that resolve the forcing scale in the scenario of simultaneous spectral energy transfer to both small and large scales, which can occur naturally in rotating…
We have tested the original interaction-strength-interpolation (ISI) exchange-correlation functional for main group chemistry. The ISI functional is based on an interpolation between the weak and strong coupling limits and includes…
The high-pressure and high-temperature thermodynamic properties of iridium are studied using density functional theory in combination with the quasi-harmonic approximation, where both the contributions to the free energy of phonons and of…