Related papers: Second order kinetic Kohn-Sham lattice model
Motivated by the fact that the low-energy properties of the Kondo model can be effectively simulated in spin chains, we study the realization of the effect with bond impurities in ultracold bosonic lattices at half-filling. After presenting…
We present some preliminary results on the phase diagram of the 2D S=1/2 Kondo lattice model at finite doping. As a starting point the Hamiltonian is written in terms of local spin and charge excitations, and the interactions between these…
In this paper, for the first time a method is proposed to compute electromagnetic effects in hadronic processes using lattice simulations. The method can be applied, for example, to the leptonic and semileptonic decays of light or heavy…
The aim of this work is to investigate the application of partial moment approximations to kinetic chemotaxis equations in one and two spatial dimensions. Starting with a kinetic equation for the cell densities we apply a…
We propose a scheme for the quantum simulation of quantum link models in two-dimensional lattices. Our approach considers spinor dipolar gases on a suitably shaped lattice, where the dynamics of particles in the different hyperfine levels…
A time-fractional Allen-Cahn equation with volume constraint is first proposed by introducing a nonlocal time-dependent Lagrange multiplier. Adaptive linear second-order energy stable schemes are developed for the proposed model by…
Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…
Theoretical predictions of the proton--neutron mass difference and measurements of the proton's charge radius require inputs from the Compton amplitude subtraction function. Model-dependent and non-relativistic calculations of this…
We propose and test a scheme for entanglement renormalization capable of addressing large two-dimensional quantum lattice systems. In a translationally invariant system, the cost of simulations grows only as the logarithm of the lattice…
This study presents a novel optimisation technique for atomic structure calculations using the Flexible Atomic Code, focussing on complex multielectron systems relevant to $r$-process nucleosynthesis and kilonova modelling. We introduce a…
In this paper, we propose a first order energy stable linear semi-implicit method for solving the Allen-Cahn-Ohta-Kawasaki equation. By introducing a new nonlinear term in the Ohta-Kawasaki free energy functional, all the system forces in…
The Embedded-Atom Model (EAM) provides a phenomenological description of atomic arrangements in metallic systems. It consists of a configurational energy depending on atomic positions and featuring the interplay of two-body atomic…
Dynamical coupled-channel approaches are a widely used tool in hadronic physics that allow to analyze different reactions and partial waves in a consistent way. In such approaches the basic interactions are derived within an effective…
We propose an unconditionally energy-stable, orthonormality-preserving, component-wise splitting iterative scheme for the Kohn-Sham gradient flow based model in the electronic structure calculation. We first study the scheme discretized in…
New solutions for second-order intertwining relations in two-dimensional SUSY QM are found via the repeated use of the first order supersymmetrical transformations with intermediate constant unitary rotation. Potentials obtained by this…
In this paper we study the realization of lattice models in mixtures of atomic and dipolar molecular quantum gases. We consider a situation where polar molecules form a self-assembled dipolar lattice, in which atoms or molecules of a second…
Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…
In this paper we present two semi-implicit-type second order Compact Approximate Taylor (CAT2) numerical schemes and blend them with a local a posteriori Multi-dimensional Optimal Order Detection (MOOD) paradigm to solve hyperbolic systems…
Efficiently estimating energy expectation values of quantum lattice systems on quantum computers is a crucial subroutine for various quantum algorithms, which can lead to significant overhead due to the high measurement shot numbers…
We formulate a set of equations that facilitate an exact numerical solution of the Kohn-Sham potential for a finite Hubbard chain with nearest neighbour hopping and arbitrary site potentials. The approach relies on a mapping of the…