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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…

Mathematical Physics · Physics 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…

Mathematical Physics · Physics 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…

Mathematical Physics · Physics 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…

Analysis of PDEs · Mathematics 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…

Mathematical Physics · Physics 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…

Functional Analysis · Mathematics 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…

Analysis of PDEs · Mathematics 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…

Spectral Theory · Mathematics 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…

Spectral Theory · Mathematics 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…

Mathematical Physics · Physics 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…

Analysis of PDEs · Mathematics 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…

Spectral Theory · Mathematics 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…

Mathematical Physics · Physics 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…

Analysis of PDEs · Mathematics 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…

Spectral Theory · Mathematics 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…

Spectral Theory · Mathematics 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…

Mathematical Physics · Physics 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.…

Combinatorics · Mathematics 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…

Mathematical Physics · Physics 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…

Mathematical Physics · Physics 2012-04-06 Sergey Morozov , Semjon Vugalter
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