相关论文: Example of two different potentials which have pra…

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…

The present paper generalizes preceding papers of the author and opens a cycle of works concerning the general posing and solution in analytic form of the quantum-mechanical inverse scattering problem (for a given partial channel) in a…

An efficient numerical quadrature is proposed for the approximate calculation of the potential energy in the context of pseudo potential electronic structure calculations with Daubechies wavelet and scaling function basis sets. Our…

We investigate a two-parametric family of one-dimensional non-Hermitian complex potentials with parity-time ($\mathcal{PT}$) symmetry. We find that there exist two distinct types of phase transitions, from an unbroken phase (characterized…

Variational phase-field models of brittle fracture pose a local constrained minimization problem of a non-convex energy functional. In the discrete setting, the problem is most often solved by alternate minimization, exploiting the separate…

This study proposes a cubic regularization of the Newton method for generating weakly efficient points of unconstrained vector optimization problems under no convexity assumption on the objective function. It is observed that at a given…

Jarzynski's identity for the free energy difference between two equilibrium states can be viewed as a special case of a more general procedure based on phase space mappings. Solving a system's equation of motion by approximate means…

In this paper, we present a parallel numerical algorithm for solving the phase field crystal equation. In the algorithm, a semi-implicit finite difference scheme is derived based on the discrete variational derivative method. Theoretical…

Complex potential transformations which add imaginary parts to chosen energy levels are given and qualitatively explained. Unexpected shape similarity of potential perturbations for real and imaginary E-shifts of bound states are exhibited.…

We explore the conditions for the existence of Noether symmetries in the dynamics of FRW metric, non minimally coupled with a scalar field, in the most general situation, and with nonzero spatial curvature. When such symmetries are present…

We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…

We consider the fixed angle inverse scattering problem and show that a compactly supported potential is uniquely determined by its scattering amplitude for two opposite fixed angles. We also show that almost symmetric or horizontally…

We consider point particles in a table made of two circular cavities connected by two rectangular channels, forming a closed loop under periodic boundary conditions. In the first channel, a bounce--back mechanism acts when the number of…

The stationary phase method is often employed for computing tunneling {\em phase} times of analytically-continuous {\em gaussian} or infinite-bandwidth step pulses which collide with a potential barrier. The indiscriminate utilization of…

Fixed-point or Newton-methods are typically employed for the numerical solution of nonlinear systems arising from discretization of nonlinear magnetic field problems. We here discuss an alternative strategy which uses local Quasi-Newton…

This paper concerns the inclusion of Newton's method into an adaptive finite element method (FEM) for the solution of nonlinear partial differential equations (PDEs). It features an adaptive choice of the damping parameter in the Newton…

This work studies the semiclassical methods in multi-dimensional quantum systems bounded by finite potentials. By replacing the Maslov index by the scattering phase, the modified transfer operator method gives rather accurate corrections to…

Real eigenpairs of symmetric tensors play an important role in multiple applications. In this paper we propose and analyze a fast iterative Newton-based method to compute real eigenpairs of symmetric tensors. We derive sufficient conditions…

We present a systematical method for obtaining analytical long-range embedded-atom potentials based on the lattice-inversion method. The potentials converge faster (exponentially) than Sutton and Chen's power-law potentials (Philos. Mag.…

The ground state energy of a many-electron system can be approximated by an variational approach in which the total energy of the system is minimized with respect to one and two-body reduced density matrices (RDM) instead of many-electron…