Related papers: Solutions of the multiconfiguration Dirac-Fock equ…
The focusing critical wave equation in three dimensions exhibits a special class of static solutions which are linearly unstable. These solutions decay like an inverse first power. We construct small codimension one stable manifolds in the…
The distant dipolar field (DDF) is a long-range, nonlocal contribution to liquid-state spin dynamics that arises from intermolecular dipolar couplings and can generate multiple-quantum coherences and novel MRI contrast. Its sign-changing…
The aim of this paper is to prove the existence of multiple solutions for a family of nonlinear elliptic systems in divergence form coupled with a pointwise gradient constraint: \begin{align*} \left\{ \begin{array}{ll}…
Noncollinear (NC) magnetism and spin-orbit coupling (SOC) are indispensable for predictive ab initio materials simulations with pronounced relativistic effects and magnetic frustration, yet they significantly increase the cost of…
Energy density functionals (EDFs) have been used extensively with great success to calculate properties of nuclei and to predict the equation of state (EOS) of dense nuclear matter. Besides non-relativistic EDFs, mostly of the Skyrme or…
In the present work we study numerical solution of the radial Dirac equation in a specific case - ab-initio pseudopotential generating process - which is needed within the electronic structure calculations using a Density Functional Theory…
Electronic friction and Langevin dynamics is a popular mixed quantum-classical method for simulating the nonadiabatic dynamics of molecules interacting with metal surfaces, as it can be computationally more efficient than fully quantum…
In this paper, we consider the Dirac-Coulomb equation for many-particles, to describe the interaction between electrons in the system having many electrons. The four-component wave function will expanding into a finite basis-set, using…
Electrons in materials containing heavy elements are fundamentally relativistic and should in principle be described using the Dirac equation. However, the current standard for treatment of electrons in such materials involves density…
We consider an ensemble of classical particles coupled to a Klein-Gordon field. For the resulting nonlinear system of partial differential equations, which we call the relativistic Vlasov-Klein-Gordon system, we prove the existence of…
By the large and small wave-function components approach we achieved the nonrela-tivistic limit of the Dirac equation in interaction with an electromagnetic potential in noncommutative phase-space, and we tested the effect of the…
Chemical and biochemical reactions can exhibit surprisingly different behaviours, ranging from multiple steady-state solutions to oscillatory solutions and chaotic behaviours. These types of systems are often modelled by a system of…
We formulate a rigorous method for calculating a nonadiabatic (frequency-dependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequilibrium properties of strongly correlated systems within…
We obtain the two-point Green's function for the relativistic Dirac-Oscillator problem. This is accomplished by setting up the relativistic problem in such a way that makes comparison with the nonrelativistic problem highly transparent and…
In this paper, we study the existence and multiplicity of solutions to the following class of nonlinear Dirac equations (NLDE) on noncompact quantum graphs: \[ -i\,\varepsilon c\,\sigma_1\,\partial_x u + m c^2 \sigma_3 u + V(x)\,u =…
Closed nonrelativistic (nonretarded) theory of conservative and dissipative electromagnetic forces and heat exchange between moving particles (nanoprobes) and a surface (flat and cylindrical) is reviewed. The formalism is based on methods…
In this paper we study the class of mixed-index time fractional differential equations in which different components of the problem have different time fractional derivatives on the left hand side. We prove a theorem on the solution of the…
In this paper, we propose a new approach to the relativistic quantum mechanics for many-body, which is a self-consistent system constructed by juxtaposed but mutually coupled nonlinear Dirac's equations. The classical approximation of this…
We used the mark weighted correlation functions (MCFs), $W(s)$, to study the large scale structure of the Universe. We studied five types of MCFs with the weighting scheme $\rho^\alpha$, where $\rho$ is the local density, and $\alpha$ is…
The system describing a single Dirac electron field coupled with classically moving point nuclei is presented and studied. The model is a semi-relativistic extension of corresponding time-dependent one-body Hartree-Fock equation coupled…