相关论文: Self-interaction correction in multiple scattering…
Single component pseudo-potential lattice Boltzmann model has been widely applied in multiphase simulation due to its simplicity and stability. In many research, it has been claimed that this model can be stable for density ratios larger…
Fermi-L\"owdin orbital self-interaction-correction (FLOSIC) method uses symmetric orthogonalized Fermi orbitals as localized orbitals in one-electron SIC schemes. In FLOSIC, a set of Fermi orbital descriptors (FOD) that define the FLOs is…
A self-consistent (SC) renormalization group approach of the effective medium kind has been developed and applied to the solution of the Ising model (IM). A renormalization group equation in the local potential approximation (LPA) derived…
To investigate inelastic electron scattering, which is ubiquitous in various fields of study, we carry out ab initio study of the real-time dynamics of a one-dimensional electron wave packet scattered by a hydrogen atom using different…
Self-interaction error (SIE), arising from the imperfect cancellation of the spurious classical Coulomb interaction between an electron and itself, is a persistent challenge in modern density functional approximations. This issue is…
We present an approach for including relativistic corrections in lepton-nucleus scattering calculations within the Short-Time Approximation (STA). Previous ab-initio studies employed electromagnetic currents expanded in powers of $q/m$,…
Polarization instability is a critical challenge for polarization-entangled satellite quantum key distribution (QKD), where atmospheric effects and platform motion continuously distort photon polarization. To maintain entanglement fidelity,…
We present a new embedding scheme for the locally self-consistent method to study disordered electron systems. We test this method in a tight-binding basis and apply it to the single band Anderson model. The local interaction zone is used…
Traditionally, interatomic potentials assume local bond formation supplemented by long-range electrostatic interactions when necessary. This ignores intermediate range multi-atom interactions that arise from the relaxation of the electronic…
Chemotaxis models describe the movement of organisms in response to chemical gradients. In this paper, we present a stochastic interacting particle-field algorithm with a random batch approximation (SIPF-$r$) for the three-dimensional (3D)…
Silicon carbide (SiC) is an essential material for next generation semiconductors and components for nuclear plants. It's applications are strongly dependent on its thermal conductivity, which is highly sensitive to microstructures.…
We present a method for extraction of detailed information on polarized quark densities from semi-inclusive deep inelastic scattering l+N -> l+h+X, in both LO and NLO QCD without any assumptions about fragmentation functions and polarized…
We study one of multidimensional inverse scattering problems for quantum systems in a constant electric field, by utilization of the Enss-Weder time-dependent method. The main purpose of this paper is to propose some methods of sharpening…
The scattering problem can be implemented in a square-integrable basis via the so-called $J$-matrix method. While methods to compute the phase shift in the $J$-matrix approach are known, we introduce a novel formula in square-integrable…
We study the long-time behavior of the (critical) Kohn--Sham equation in two and three dimensions, i.e.,\[ \mathrm{i} \partial_t {\gamma} = \Big[-\frac{1}{2}\Delta + \lambda \, |\cdot|^{-1} \ast \rho_{{\gamma}} + \mu \,…
It has been shown that changes in the energy of a system of nonwetting-liquid clusters confined in a random nanoporous medium in the process of relaxation can be written in the quasiparticle approximation in the form of the sum of the…
The recently developed localized orbital scaling correction (LOSC) method shows the ability to systematically and size-consistently reduce the delocalization error existing in conventional density functional approximations (DFAs). Applying…
We investigate the inelastic coupling interaction by studying its effect on the elastic scattering potential as determined by inverting the elastic scattering $S$-matrix. We first address the effect upon the real and imaginary elastic…
We present a constrained Random Phase Approximation (cRPA) method, termed spectral cRPA (s-cRPA), and compare it to established cRPA approaches for Scandium and Copper by varying the 3d shell filling. The s-cRPA method generally produces…
Various multi-spin magnetic exchange interactions (MEI) of chiral nature have been recently unveiled. Owing to their potential impact on the realisation of twisted spin-textures, their implication in spintronics or quantum computing is very…