Related papers: Algorithms for estimating spectral density functio…
A double hybrid approximation using the Coulomb-attenuating method (CAM-DH) is derived within range-separated density-functional perturbation theory, in the spirit of a recent work by Cornaton {\it et al.} [Phys. Rev. A 88, 022516 (2013)].…
We provide a rigorous derivation of a class of double-hybrid approximations, combining Hartree-Fock exchange and second-order Moller-Plesset correlation with a semilocal exchange-correlation density functional. These double-hybrid…
A method to calculate the hole spectral function in the discrete part of the spectrum is suggested within the natural orbital representation of the one-body density matrix of $A$-nucleon system using its relationship with the overlap…
We prove that the density function of the gradient of a sufficiently smooth function $S : \Omega \subset \mathbb{R}^d \rightarrow \mathbb{R}$, obtained via a random variable transformation of a uniformly distributed random variable, is…
Hadronic spectral densities play a pivotal role in particle physics, a prime example being the R-ratio defined from electron-positron scattering into hadrons. To predict them from first principles using Lattice QCD, we face a numerically…
We present an efficient algorithm for calculating spectral properties of large sparse Hamiltonian matrices such as densities of states and spectral functions. The combination of Chebyshev recursion and maximum entropy achieves high energy…
For fractional Brownian motion with Hurst parameter H the Berman constant is defined. In this paper we consider a general random field (rf) Z that is a spectral rf of some stationary max-stable rf X and derive the properties of the…
We study elliptic gradient systems with fractional laplacian operators on the whole space $$ (- \Delta)^\mathbf s \mathbf u =\nabla H (\mathbf u) \ \ \text{in}\ \ \mathbf{R}^n,$$ where $\mathbf u:\mathbf{R}^n\to \mathbf{R}^m$, $H\in…
Recently, we have demonstrated that the problems finding a suitable adiabatic approximation in time-dependent one-body reduced density matrix functional theory can be remedied by introducing an additional degree of freedom to describe the…
We demonstrate a phenomenon of condensation of the Fourier transform $\widehat{f}$ of a function $f$ defined on the real line $\mathbb{R}$ which decreases rapidly on one half of the line. For instance, we prove that if $f$ is…
This work addresses the development of the Riemann-Hilbert problem (RHP) formalism (the Fokas method) for the Camassa-Holm equation under periodic boundary conditions. Particularly, we present a representation of the solution to this…
Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional theory (DFT). A detailed systematic investigation is made for a…
We consider fractional differential equations of order $\alpha \in (0,1)$ for functions of one independent variable $t\in (0,\infty)$ with the Riemann-Liouville and Caputo-Dzhrbashyan fractional derivatives. A precise estimate for the order…
Quantum chemistry methods exploiting density-functional approximations for short-range electron-electron interactions and second-order M{{\o}}ller-Plesset (MP2) perturbation theory for long-range electron-electron interactions have been…
Suppose $f : [0,1]^2 \rightarrow \mathbb{R}$ is a $(c,\alpha)$-mixed H\"older function that we sample at $l$ points $X_1,\ldots,X_l$ chosen uniformly at random from the unit square. Let the location of these points and the function values…
In this paper, we propose to study spectral measures on local fields. Some basic results are presented, including the stability of Bessel sequences under perturbation, the Landau theorem on Beurling density, the law of pure type of spectral…
In this paper we use an iterative algorithm for solving Fredholm equations of the first kind. The basic algorithm is known and is based on an EM algorithm when involved functions are non-negative and integrable. With this algorithm we…
The perturbation theory is developed for joint statistics of the advanced and retarded Green's functions of the 1D Schrodinger equation with a piecewise-constant random potential. Using this method, analytical expressions are obtained for…
The density functional scheme for calculating the pair density is presented by means of the constrained-search technique. The resultant single-particle equation takes the form of the modified Hartree-Fock equation which contains the kinetic…
The meromorphic functional calculus developed in Part I overcomes the nondiagonalizability of linear operators that arises often in the temporal evolution of complex systems and is generic to the metadynamics of predicting their behavior.…