Related papers: Energy Density Bands Engineering
In this paper, we consider band-structure calculations governed by the Helmholtz or Maxwell equations in piecewise homogeneous periodic materials. Methods based on boundary integral equations are natural in this context, since they…
A one-dimensional quantum wire of Fermions is considered and ground state properties are calculated in the high density regime within the extended quasiparticle picture and Born approximation. Expanding the two-particle Green functions…
This paper shows that there is a correspondence between quasi-exactly solvable models in quantum mechanics and sets of orthogonal polynomials $\{ P_n\}$. The quantum-mechanical wave function is the generating function for the $P_n (E)$,…
Strongly non-Gaussian ensembles of large random matrices possessing unitary symmetry and logarithmic level repulsion are studied both in presence and absence of hard edge in their energy spectra. Employing a theory of polynomials orthogonal…
We develop Green's function formalism to describe continuous multi-layered quasi-one-dimensional setups described by piece-wise constant single-particle Hamiltonians. The Hamiltonians of the individual layers are assumed to be quadratic…
Energy functionals of the Green's function can simultaneously provide spectral and thermodynamic properties of interacting electrons' systems. Though powerful in principle, these formulations need to deal with dynamical…
Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…
We establish a general relation between the statistics of the local Green's function for systems with chaotic wave scattering and a uniform energy loss (absorption) and its two-point correlation function for the same system without…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
The electronic structure of organic-inorganic interfaces often feature resonances originating from discrete molecular orbitals coupled to continuum lead states. An example are molecular junctions, individual molecules bridging electrodes,…
While dealing in [1] with the supersymmetry of a tridiagonal Hamiltonian H, we have proved that its partner Hamiltonian H(+) also have a tridiagonal matrix representation in the same basis and that the polynomials associated with the…
This paper derives and demonstrates a new, purely density-based ab initio approach for calculation of the energies and properties of many-electron systems. It is based upon the discovery of relationships that govern the "mechanics" of the…
The energy band structures caused by self-energy shifting that results in bound energy levels broadening and merging in warm dense aluminum and beryllium are observed. An energy band theory for warm dense matter (WDM) is proposed and a new…
Qualitatively different systems of molecular energy bands are studied on example of a parametric family of effective Hamiltonians describing rotational structure of triply degenerate vibrational state of a cubic symmetry molecule. The…
We investigate the global density of zeros of generalized Hermite orthogonal polynomials, subject to certain truncated conditions on its weight. We shall given explicitly the global density of zeros under some asymptotic conditions on the…
We study non-convex elastic energy functionals associated to (spatially) periodic, frame indifferent energy densities with a single non-degenerate energy well at SO(n). Under the assumption that the energy density admits a quadratic Taylor…
The delta interaction at a vertex generalizes the Robin (generalized Neumann) boundary condition on an interval. Study of a single vertex with N infinite leads suffices to determine the localized effects of such a vertex on densities of…
The wave functions corresponding to the zero energy eigenvalue of a one-dimensional quantum chain Hamiltonian can be written in a simple way using quadratic algebras. Hamiltonians describing stochastic processes have stationary states given…
We study the effective behavior of heterogeneous energies arising in the modeling of material voids in geometrically linear elastic materials. Specifically, we consider functionals featuring bulk terms depending on the symmetrized gradient…
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The…