Related papers: Chemical Hardness, Linear Response, and Pseudopote…
In simulations of metallic interfaces, a critical aspect of metallic behavior is missing from the some of the most widely used classical molecular dynamics force fields. We present a modification of the embedded atom method (EAM) which…
We derive the partial differential equation (PDE) to which the pseudo-potential lattice Boltzmann method (P-LBM) converges under diffusive scaling, providing a rigorous basis for its consistency analysis. By establishing a direct link…
This paper is concerned with the inverse scattering and the transmission eigenvalues for anisotropic periodic layers. For the inverse scattering problem, we study the Factorization method for shape reconstruction of the periodic layers from…
Regulation of material softness has both theoretical and practical significances due to irreplaceable applications of soft matter in rather diverse areas. This article is dedicated to draft a theoretical category on interpreting the…
Relativistic atomic structure calculations are carried out in alkaline-earth-metal ions using a semiempirical-core-potential approach. The systems are partitioned into frozen-core electrons and an active valence electron. The core orbitals…
We predict that the effective nonlinear optical susceptibility can be tailored using the Purcell effect. While this is a general physical principle that applies to a wide variety of nonlinearities, we specifically investigate the Kerr…
In previous papers of this series, we presented a formalism able to account for both statistical equilibrium of a multilevel atom and coherent and incoherent scatterings (partial redistribution). aims: This paper provides theoretical…
An adaptive finite element method is presented for the elastic scattering of a time-harmonic plane wave by a periodic surface. First, the unbounded physical domain is truncated into a bounded computational domain by introducing the…
A dynamic linear thermo-poroelasticity model, containing inertial and relaxation terms with second-order time derivatives, is investigated in this paper. The mathematical and numerical analysis of this model is performed in the frequency…
On the basis of general theoretical results developed previously in JETP 112, 246 (2011) we analyze the atomic polarization created by weak monochromatic light in an optically thick, dense and cold atomic ensemble. We show that the…
We present an optical picture of linear-optics superradiance, based on a single scattering event embedded in a dispersive effective medium composed by the other atoms. This linear-dispersion theory is valid at low density and in the…
We analyze the molecular electric dipole moments (PDMs) and static electric dipole polarizabilities of heteronuclear alkali dimers in their ground states by employing coupled-cluster theory, both in the non-relativistic and four-component…
The usefulness of semi-analytical thermal models for predicting the connection between process, microstructure and properties in powder bed fusion has been well illustrated in recent years. Such an approach provides the promise of accuracy…
This work unifies pseudo-time and inexact regularization techniques for nonmonotone classes of partial differential equations, into a regularized pseudo-time framework. Convergence of the residual at the predicted rate is investigated…
We study spectral and transport properties of one-dimensional tight-binding $\mathcal{PT}$-symmetric chains with alternating couplings. Based on the transfer matrix method, we have analytically developed the expressions for the transmission…
The self-energy and the vertex radiative corrections to the effect of parity nonconservation in heavy atoms are calculated analytically in orders Z alpha^2 and Z^2 alpha^3 ln(lambda_C/r_0), where lambda_C and r_0 being the Compton…
The hyperpolarizability of an atom is a property that describes the nonlinear interaction between an atom and an external electric field leading to a higher-order Stark shift. Accurate evaluations of these coefficients for various systems…
The storage of large-scale quantum information at finite temperature requires an autonomous and reliable quantum hard drive, also known as a self-correcting quantum memory. It is a long-standing open problem to find a self-correcting…
The transfer matrix formalism is implemented in the form of the multiple collision technique to account for dissipative transmission processes by using complex potentials in several models of atomic chains. The absorption term is rigorously…
The breakdown of conductance quantization in a quantum point contact in the presence of random long-range impurity potential is discussed. It is shown that in the linear response regime a decisive role is played by the indirect…