Related papers: A partial fraction decomposition of the Fermi func…
A purely Fermi-surface formula is proposed for the Ohmic "minimum metallic conductivity" tensor of clean metals with "Planckian limit" inelastic dissipation. This revises a recent proposal by Legros et al.
In this paper, we consider the problem of minimizing a smooth function, given as finite sum of black-box functions, over a convex set. In order to advantageously exploit the structure of the problem, for instance when the terms of the…
In the present article, a new method for the evaluation of fractional derivatives of arbitrary real order is proposed. Numerous but inequivalent formulations have been given in the past. Some of them exhibit unsatisfactory properties such…
Motivated by the famous and pioneering mathematical works by Perelman, Hamilton, and Thurston, we introduce the concept of using modern geometrical mathematical classifications of multi-dimensional manifolds to characterize electronic…
We find general solutions to the generating-function equation sum c_q^{(X)} z^q = F(z)^X, where X is a complex number and F(z) is a convergent power series with |F(0)| >0. We then use these results to derive finite expressions containing…
We introduce a new multilevel domain decomposition method (MDD) for electronic structure calculations within semi-empirical and Density Functional Theory (DFT) frameworks. This method iterates between local fine solvers and global coarse…
A form of the Laplace transform is reviewed as a paradigm for an entire class of fractional functional transforms. Various of its properties are discussed. Such transformations should be useful in application to differential/integral…
A finite sum of exponential functions may be expressed by a linear combination of powers of the independent variable and by successive integrals of the sum. This is proved for the general case and the connection between the parameters in…
The main result of the paper is a lower estimate for the moduli of imaginary parts of the poles of a simple partial fraction (i.e. the logarithmic derivative of an algebraic polynomial) under the condition that the…
We consider sums of the form $\sum \phi(\gamma)$, where $\phi$ is a given function, and $\gamma$ ranges over the ordinates of nontrivial zeros of the Riemann zeta-function in a given interval. We show how the numerical estimation of such…
We prove upper and lower bounds for certain sums of products of fractional parts by using majoring and minorizing functions from Fourier analysis. In special cases the upper bounds are sharp if there exist counterexamples to the Littlewood…
In spatial dimensions d >= 2, Kondo lattice models of conduction and local moment electrons can exhibit a fractionalized, non-magnetic state (FL*) with a Fermi surface of sharp electron-like quasiparticles, enclosing a volume quantized by…
In this paper, through the introduction of partial multiple weights, we firstly study the related Rubio de Francia extrapolation theorem within the framework of partial Muckenhoupt classes and further obtain the corresponding extrapolation…
Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications range from solids to molecular systems, from…
We investigate dynamical properties of a one-component Fermi gas with dipole-dipole interaction between particles. Using a variational function based on the Thomas-Fermi density distribution in phase space representation, the total energy…
The full three dimensional dispersion of the pi-bands, Fermi velocities and effective masses are measured with angle resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functional…
We propose a Fast Fourier Transform based Periodic Interpolation Method (FFT-PIM), a flexible and computationally efficient approach for computing the scalar potential given by a superposition sum in a unit cell of an infinitely periodic…
In a recent paper we have suggested that the finite temperature density matrix can be computed efficiently by a combination of polynomial expansion and iterative inversion techniques. We present here significant improvements over this…
Partition density functional theory is a formally exact procedure for calculating molecular properties from Kohn-Sham calculations on isolated fragments, interacting via a global partition potential that is a functional of the fragment…
The use of fractional differential equations is a key tool in modeling non-local phenomena. Often, an efficient scheme for solving a linear system involving the discretization of a fractional operator is evaluating the matrix function $x =…