相关论文: Schr\"odinger equations for the square root densit…

We derive the general formula for Lorentz-transformed spin density matrix. It is shown that an appropriate Lorentz transformation can prduce totally unpolarized state out of pure one. Further properties, as depurification by an arbitrary…

Aspects of Density Functional Resonance Theory (DFRT) [Phys. Rev. Lett. \textbf{107}, 163002 (2011)], a recently developed complex-scaled version of ground-state Density Functional Theory (DFT), are studied in detail. The asymptotic…

A spectral theory of linear operators on a rigged Hilbert space is applied to Schr\"odinger operators with exponentially decaying potentials and dilation analytic potentials. The theory of rigged Hilbert spaces provides a unified approach…

A recently proposed linear-scaling scheme for density-functional pseudopotential calculations is described in detail. The method is based on a formulation of density functional theory in which the ground state energy is determined by…

Using arguments built on ergodicity, we derive an analytical expression for the Renyi entanglement entropies corresponding to the finite-energy density eigenstates of chaotic many-body Hamiltonians. The expression is a universal function of…

The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. In this Part~II of a…

We construct random Schr\"odinger operators, called Anderson Hamiltonians, with Dirichlet and Neumann boundary conditions for a fairly general class of singular random potentials on bounded domains. Furthermore, we construct the integrated…

We determine the density of eigenvalues of the scattering matrix of the Schrodinger operator with a short range potential in the high energy asymptotic regime. We give an explicit formula for this density in terms of the X-ray transform of…

Let $V$ be a {\em periodic} potential on $\RR^3$ that is smooth everywhere except at a discrete set $\maS$ of points, where it has singularities of the form $Z/\rho^2$, with $\rho(x) = |x - p|$ for $x$ close to $p$ and $Z$ is continuous,…

We study spectral properties of random operators in the general setting of groupoids and von Neumann algebras. In particular, we establish an explicit formula for the canonical trace of the von Neumann algebra of random operators and define…

We extend some recent results of Lubinsky, Levin, Simon, and Totik from measures with compact support to spectral measures of Schr\"odinger operators on the half-line. In particular, we define a reproducing kernel $S_L$ for Schr\"odinger…

The Hartree-Fock ground state phase diagram of the one-dimensional Hubbard model is calculated, constrained to uniform phases, which have no charge density modulation. The allowed solutions are saturated ferromagnetism (FM), a spiral spin…

We study eigenvalue spacings and local eigenvalue statistics for 1D lattice Schrodinger operators with Holder regular potential, obtaining a version of Minami's inequality and Poisson statistics for the local eigenvalue spacings. The main…

Both the nonrelativistic scattering and the spectrum in the presence of the Aharonov-Bohm potential are analyzed. The single-particle density of states (DOS) for different self-adjoint extensions is calculated. The DOS provides a link…

We construct an expansion in generalized eigenfunctions for Schrodinger operators on metric graphs. We require rather minimal assumptions concerning the graph structure and the boundary conditions at the vertices.

Statistical errors in ground state observables and single-particle properties of spherical even-even nuclei and their propagation to the limits of nuclear landscape have been investigated in covariant density functional theory (CDFT) for…

To understand sparse systems we must account for both strong local atom bonds and weak nonlocal van der Waals forces between atoms separated by empty space. A fully nonlocal functional form [H. Rydberg, B.I. Lundqvist, D.C. Langreth, and M.…

The non-collinear spin-spiral density wave of the uniform electron gas is studied in the framework of Reduced-Density-Matrix-Functional Theory. For the Hartree-Fock approximation, which can be obtained as a limiting case of…

The accurate description of open-shell molecules, in particular of transition metal complexes and clusters, is still an important challenge for quantum chemistry. While density-functional theory (DFT) is widely applied in this area, the…

We investigate some bounds for the density of states in the pure point regime for the random Schr\"{o}dinger operators $H^{\omega}=-\Delta+\displaystyle\sum_{n\in\mathbb{Z}^d}a_nq_n(\omega)$, acting on $\ell^2(\mathbb{Z}^d)$, where…