Related papers: Second order kinetic Kohn-Sham lattice model
In this article, we implement a recently developed non-equilibrium chemical kinetics model \cite{singhmodeldevelopment2019} based on \textit{ab initio} simulation data and perform verification studies. Direct molecular simulation data is…
Despite recent advances, systematic quantitative treatment of the electron correlation problem in extended systems remains a formidable task. Systematically improvable Green's function methods capable of quantitatively describing weak and…
We demonstrate the utility of the numerical Contractor Renormalization (CORE) method for quantum spin systems by studying one and two dimensional model cases. Our approach consists of two steps: (i) building an effective Hamiltonian with…
Engineering long-range interacting spin systems with ultra cold atoms offers the possibility to explore exotic magnetically ordered phases in strongly-correlated scenarios. Quantum gases in optical cavities provide a versatile experimental…
We present a set of linear, second order, unconditionally energy stable schemes for the Allen-Cahn equation with nonlocal constraints that preserves the total volume of each phase in a binary material system. The energy quadratization…
Kitaev model has both Abelian and non-Abelian anyonic excitations. It can act as a starting point for topological quantum computation. However, this model Hamiltonian is difficult to implement in natural condensed matter systems. Here we…
An experiment demonstrating the quantum simulation of a spin-lattice Hamiltonian is proposed. Dipolar interactions between nuclear spins in a solid state lattice can be modulated by rapid radio-frequency pulses. In this way, the effective…
We describe a lattice Boltzmann algorithm to simulate liquid crystal hydrodynamics. The equations of motion are written in terms of a tensor order parameter. This allows both the isotropic and the nematic phases to be considered. Backflow…
We show how interpenetrating optical lattices containing Bose-Fermi mixtures can be constructed to emulate the thermodynamics of quantum electrodynamics (QED). We present models of neutral atoms on lattices in 1+1, 2+1 and 3+1 dimensions…
We present a new completely elementary model that describes the creation, annihilation, and motion of non-interacting electrons and positrons along a line. It is a modification of the model known under the names Feynman checkers or…
Electric dipole moments (EDMs), which are sought as evidence of CP violation, require lattice calculations to connect constraints from experiments to limits on the strong CP violation within QCD or CP violation in new physics beyond the…
We propose an energy-scale correspondence between the Mott physics and the Kondo lattice physics and construct a tentative phase diagram of their correlated electrons with two characteristic energy scales $\omega^*$ and $\Omega$ marking the…
We present a purely diagrammatic derivation of the dual fermion scheme [Phys. Rev. B 77 (2008) 033101]. The derivation makes particularly clear that a similar scheme can be developed for an arbitrary reference system provided it has the…
Cold atoms, loaded into an optical lattice with double-well sites, are considered. Pseudospin representation for an effective Hamiltonian is derived. The system in equilibrium displays two phases, ordered and disordered. The second-order…
Absolute binding energies of core electrons in molecules and bulk materials can be efficiently calculated by spin paired density-function theory employing a $\Delta$ Kohn-Sham ($\Delta$KS) scheme corrected by offsets that are highly…
In Ref. [1], a method was proposed to calculate QED corrections to hadronic self energies from lattice QCD without power-law finite-volume errors. In this paper, we extend the method to processes which occur at second-order in the weak…
We present an a priori derivation of the force scheme for lattice Boltzmann method based on kinetic theoretical formulation. We show that the discrete lattice effect, previously eliminated a posteriori in BGK collision model, is due to…
By making use of the chiral kinetic theory in the relaxation-time approximation, we derive an Israel-Stewart type formulation of the hydrodynamic equations for a chiral relativistic plasma made of neutral particles (e.g., neutrinos). The…
In this letter we report on the unexpected possibility of applying the full-deautonomisation approach we recently proposed for predicting the algebraic entropy of second-order birational mappings, to discrete lattice equations. Moreover, we…
We investigate the dynamics of a lattice soliton on a monatomic chain in the presence of damping and external forces. We consider Stokes and hydrodynamical damping. In the quasi-continuum limit the discrete system leads to a damped and…