相关论文: Higher order energy functionals

Solving the Euler equation which corresponds to the energy minimum of a density functional expressed in orbital-free form involves related but distinct computational challenges. One is the choice between all-electron and pseudo-potential…

We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…

We define renormalised energies for maps that describe the first-order asymptotics of harmonic maps outside of singularities arising due to obstructions generated by the boundary data and the mutliple connectedness of the target manifold.…

Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{\sigma e}\left( r\right) $ needed to…

Coherent or exact equations of motion for a post-Newtonian Lagrangian formalism are the Euler-Lagrange equations without any terms truncated. They naturally conserve energy {and} angular momentum. Doubling the phase-space variables of…

This note deals with arbitrary Morse-Smale diffeomorphisms in dimension 3 and extends ideas from \cite{GrLaPo}, \cite{GrLaPo1}, where gradient-like case was considered. We introduce a kind of Morse-Lyapunov function, called dynamically…

The energy, the $p$-energy ($p\in\mathbb{R}$ with $p\geq 2$) and the extrinsic $k$-energy ($k\in\mathbb{N}$) for maps between Riemannian manifolds are central objects in the geometric calculus of variations. The equator map from the unit…

We first study subextensions of m-subharmonic functions in weighted energy classes with given boundary values. The results are used to approximate an m-subharmonic function in weighted energy classes with given boundary values by an…

The purpose of this paper is to solve a kind of Riemann-Hilbert boundary value problem for $(\varphi,\psi)$-harmonic functions, which are linked with the use of two orthogonal basis of the Euclidean space $\mathbb{R}^m$. We approach this…

Let $\varphi$ be a locally upper bounded Borel measurable function on a Greenian open set $\Omega$ in $R^d$ and, for every $x\in \Omega$, let $v_\varphi(x)$ denote the infimum of the integrals of $\varphi$ with respect to Jensen measures…

In the framework of the KIDS generalized energy density functional (EDF), the nuclear equation of state (EoS) is expressed as an expansion in powers of the Fermi momentum or the cubic root of the density ($\rho^{1/3}$). Although an optimal…

We prove that the energy-critical half-wave maps equation \[ \partial_t \mathbf{S} =\mathbf{S} \times |\nabla| \mathbf{S}, \quad (t,x) \in \mathbb{R} \times \mathbb{T} \] arises as an effective equation in the continuum limit of completely…

Semi-local density functionals for the exchange-correlation energy of electrons are extensively used as it produce realistic and accurate results for finite and extended systems. The choice of techniques play crucial role in constructing…

Structure and properties of families of critical points for classes of functions $W(z,\bar{z})$ obeying the elliptic Euler-Poisson-Darboux equation $E(1/2,1/2)$ are studied. General variational and differential equations governing the…

In this paper we study $2$nd order $L^\infty$ variational problems, through seeking to minimise a supremal functional involving the Hessian of admissible functions as well as lower-order terms. Specifically, given a bounded domain…

In this article we study various analytic aspects of interpolating sesqui-harmonic maps between Riemannian manifolds where we mostly focus on the case of a spherical target. The latter are critical points of an energy functional that…

(abridged)If the space-time is presupposed, the coordinate representation of the solutions $\psi(\vec x, t)$ of the Schroedinger equation of a quantum system containing one massive scalar particle has a {\it preferred status}. It is then…

Given two Riemannian manifolds $M$ and $N\subset\mathbb{R}^L$, we consider the energy concentration phenomena of the penalized energy functional $$E_{\epsilon}(u)=\int_M\frac{\vert\nabla u\vert^2}{2}+\frac{F(u)}{\epsilon^2},u\in…

Potential energy surfaces of electron dynamics (ePES) are constructed from a model of localized electron wave packets (eWP) with non-orthogonal valence-bond (VB) spin coupling and applied to quantum dynamics simulations of high harmonic…

High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of…