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The one-particle density matrix $\gamma(x, y)$ for a bound state of an atom or molecule is one of the key objects in the quantum-mechanical approximation schemes. We prove the asymptotic formula $\lambda_k \sim (Ak)^{-8/3}$, $A \ge 0$, as…

数学物理 · 物理学 2021-10-19 Alexander V. Sobolev

For bound states of atoms and molecules of $N$ electrons we consider the corresponding $K$-particle reduced density matrices, $\Gamma^{(K)}$, for $1 \le K \le N-1$. Previously, eigenvalue bounds were obtained in the case of $K=1$ and…

数学物理 · 物理学 2024-12-23 Peter Hearnshaw

We show that the molecular relativistic Thomas-Fermi-Weizs\"acker functional consisting of atoms of atomic numbers $Z_1,...,Z_k$ has a minimizer, if the particle number $N$ is constrained to a number less or equal to the total nuclear…

数学物理 · 物理学 2020-09-15 Hongshuo Chen , Heinz Siedentop

We investigate minimizers defined on a bounded domain in $\mathbb{R}^2$ for the Maier--Saupe Q--tensor energy used to characterize nematic liquid crystal configurations. The energy density is singular, as in Ball and Mujamdar's modification…

偏微分方程分析 · 数学 2015-11-04 Patricia Bauman , Daniel Phillips

We analyze the semiclassical $d$-dimensional Schr\"{o}dinger operator in the continuum $ \frac{1}{2} \Delta + \lambda_N^2 V$ discretized on a mesh with spacing proportional to $1/N$. The semi-classical parameter $\lambda_N$ is chosen as…

数学物理 · 物理学 2026-02-27 Matthias Keller , Lorenzo Pettinari , Christiaan J. F. van de Ven

In this paper we show that any increasing functional of the first k eigenvalues of the Dirichlet Laplacian admits a (quasi-)open minimizer among the subsets of R^N of unit measure. In particular, there exists such a minimizer which is…

泛函分析 · 数学 2011-12-02 Dario Mazzoleni , Aldo Pratelli

We consider minimizers of \[ F(\lambda_1(\Omega),\ldots,\lambda_N(\Omega)) + |\Omega|, \] where $F$ is a function nondecreasing in each parameter, and $\lambda_k(\Omega)$ is the $k$-th Dirichlet eigenvalue of $\Omega$. This includes, in…

偏微分方程分析 · 数学 2017-10-31 Dennis Kriventsov , Fanghua Lin

For integers $m\geq 3$ and $1\leq\ell\leq m-1$, we study the eigenvalue problem $-u^{\prime\prime}(z)+[(-1)^{\ell}(iz)^m-P(iz)]u(z)=\lambda u(z)$ with the boundary conditions that $u(z)$ decays to zero as $z$ tends to infinity along the…

谱理论 · 数学 2007-05-23 Kwang C. Shin

Consider a bound state (an eigenfunction) $\psi$ of an atom with $N$ electrons. We study the spectra of the one-particle density matrix $\gamma$ and of the one-particle kinetic energy density matrix $\tau$ associated with $\psi$. The paper…

谱理论 · 数学 2025-06-23 Alexander V. Sobolev

We study electron densities of eigenfunctions of atomic Schroedinger operators. We prove the existence of rho~'''(0), the third derivative of the spherically averaged atomic density rho~ at the nucleus. For eigenfunctions with corresponding…

数学物理 · 物理学 2015-06-26 Søren Fournais , Maria Hoffmann-Ostenhof , Thomas Østergaard Sørensen

We investigate regularity properties of minimizers for non-autonomous convex variational integrands $F(x, \mathrm{D} u)$ with linear growth, defined on bounded Lipschitz domains $\Omega \subset \mathbb{R}^n$. Assuming appropriate…

偏微分方程分析 · 数学 2025-10-13 Lukas Fußangel , Buddhika Priyasad , Paul Stephan

We consider compact Hankel operators realized in $ \ell^2(\mathbb Z_+)$ as infinite matrices $\Gamma$ with matrix elements $h(j+k)$. Roughly speaking, we show that if $h(j)\sim (b_{1}+ (-1)^j b_{-1}) j^{-1}(\log j)^{-\alpha}$ as $j\to…

谱理论 · 数学 2014-12-09 Alexander Pushnitski , Dmitri Yafaev

We study the ionization problem in the Thomas-Fermi-Dirac-von Weizs\"acker theory for atoms and molecules. We prove the nonexistence of minimizers for the energy functional when the number of electrons is large and the total nuclear charge…

数学物理 · 物理学 2016-11-11 Phan Thành Nam , Hanne Van Den Bosch

We study a class of Landau-de Gennes energy functionals with a sextic bulk energy density in a three-dimensional domain. We examine the asymptotic behavior of uniformly bounded minimizers in two distinct scenarios: one where their energy…

偏微分方程分析 · 数学 2024-04-02 Wei Wang , Zhifei Zhang

We consider the Hamiltonian of a system of three quantum mechanical particles (two identical fermions and boson)on the three-dimensional lattice $\Z^3$ and interacting by means of zero-range attractive potentials. We describe the location…

谱理论 · 数学 2009-11-13 Sergio Albeverio , G. F. Dell Antonio , Saidakhmat N. Lakaev

We strengthen and generalise a result of Kirsch and Simon on the behaviour of the function $N_L(E)$, the number of bound states of the operator $L = \Delta+V$ in $\R^d$ below $-E$. Here $V$ is a bounded potential behaving asymptotically…

谱理论 · 数学 2007-05-23 Andrew Hassell , Simon Marshall

We investigate a semiclassical momentum density energy functional for atoms and show that it yields the same value as the well-known Thomas-Fermi functional. In fact, we show an explicit relation between the minimizers of the two…

数学物理 · 物理学 2013-11-18 Verena von Conta , Heinz Siedentop

We study planar graphs with large negative curvature outside of a finite set and the spectral theory of Schr{\"o}dinger operators on these graphs. We obtain estimates on the first and second order term of the eigenvalue asymptotics.…

组合数学 · 数学 2021-04-09 Michel Bonnefont , Sylvain Golenia , Matthias Keller

We study the asymptotic behavior of the smallest eigenvalue, $\lambda_{N}$, of the Hankel (or moments) matrix denoted by $\mathcal{H}_{N}=\left(\mu_{m+n}\right)_{0\leq m,n\leq N}$, with respect to the weight $w(x)=x^{\alpha}{\rm…

数学物理 · 物理学 2019-05-22 Mengkun Zhu , Niall Emmart , Yang Chen , Charles Weems

We consider the Brown--Ravenhall model of a relativistic atom with N electrons and a nucleus of charge Z and prove the existence of an infinite number of discrete eigenvalues for N <= Z. As an intermediate result we prove a HVZ-type theorem…

数学物理 · 物理学 2012-04-06 Sergey Morozov , Semjon Vugalter
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