Related papers: Eigenvalue asymptotics for the one-particle kineti…
We present a novel route to constructing cost-efficient semi-empirical approximations for the non-additive kinetic energy in subsystem density functional theory. The developed methodology is based on the use of Slater determinants composed…
The purpose of this paper is to derive sharp asymptotics of the ground state energy for the heavy atoms and molecules in the relativistic settings, with the self-generated magnetic field, and, in particular, to derive relativistic Scott…
In this paper we present a complete classification scheme for kinetic energy operators (KEO's) describing a particle endowed with position-dependent mass (PDM). We first present a generalized formulation of KEO's with PDM and show that it…
A simple exact analytical solution of the relativistic Duffin-Kemmer-Petiau equation within the framework of the asymptotic iteration method is presented. Exact bound state energy eigenvalues and corresponding eigenfunctions are determined…
For the random eigenvalues with density corresponding to the Jacobi ensemble $$c \cdot \prod_{i < j} | \lambda_i - \lambda_j |^\beta \prod^n_{i=1} (2 - \lambda_i)^a (2 + \lambda_i)^b I_{(-2,2)} (\lambda_i) $$ $(a, b > -1, \beta > 0) $ a…
The isospin dependence of the saturation properties of asymmetric nuclear matter, particularly the incompressibility $K_\infty (X) = K_\infty + K_\tau X^2 + O(X^4)$ at saturation density is systematically studied using density dependent M3Y…
We study the spectral properties of minimizers of the M\"uller functional for atoms and molecules with $N$ electrons and total nuclear charge $Z$. We prove that under some suitable assumptions on $Z$ and $N$, the $k$-th eigenvalue of a…
We develop a rigorous formalism for the description of the evolution of states of quantum many-particle systems in terms of a one-particle density operator. For initial states which are specified in terms of a one-particle density operator…
In the density functional (DF) theory of Kohn and Sham, the kinetic energy of the ground state of a system of noninteracting electrons in a general external field is calculated using a set of orbitals. Orbital free methods attempt to…
A common tool in Casimir physics (and many other areas) is the asymptotic (high-frequency) expansion of eigenvalue densities, employed as either input or output of calculations of the asymptotic behavior of various Green functions. Here we…
We describe large classes of compact self-adjoint Hankel operators whose eigenvalues have power asymptotics and obtain explicit expressions for the coefficient in front of the leading term. The results are stated both in the discrete and…
We study the wave equation in the exterior of a bounded domain $K$ with dissipative boundary condition $\partial_{\nu} u - \gamma(x) \partial_t u = 0$ on the boundary $\Gamma$ and $\gamma(x) > 0.$ The solutions are described by a…
We evaluate analytically some ground state properties of two-dimensional harmonically confined Fermi vapors with isotropy and for an arbitrary number of closed shells. We first derive a differential form of the virial theorem and an…
A new method is presented for performing first-principles molecular-dynamics simulations of systems with variable occupancies. We adopt a matrix representation for the one-particle statistical operator Gamma, to introduce a ``projected''…
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron hamiltonian, this same operator…
For a given density matrix $\rho$ of a bipartite quantum system an asymptotical separability criterion is suggested. Using the continuous ensemble method, a sequence of separable density matrices is built which converges to $\rho$ if and…
The proper definition of entropy is fundamental to the relationship between statistical mechanics and thermodynamics. It also plays a major role in the recent debate about the validity of the concept of negative temperature. In this paper,…
Orbital-free density functional theory promises to deliver linear-scaling electronic structure calculations. This requires the knowledge of the non-interacting kinetic-energy density functional (KEDF), which should be accurate and must…
A one-variable Hankel matrix $H_a$ is an infinite matrix $H_a=[a(i+j)]_{i,j\geq0}$. Similarly, for any $d\geq2$, a $d$-variable Hankel matrix is defined as $H_{\mathbf{a}}=[\mathbf{a}(\mathbf{i}+\mathbf{j})]$, where…
We summarize several semi-phenomenological approaches to estimate the internal energy of one-component-plasma (OCP) in two (2D) and three (3D) dimensions. Particular attention is given to a hybrid approach, which reproduces the…