Related papers: Accurate computation of the high dimensional diffr…
We describe a highly efficient numerical scheme for finding two-sided bounds for the eigenvalues of the fractional Laplace operator (-Delta)^{alpha/2} in the unit ball D in R^d, with a Dirichlet condition in the complement of D. The…
In this paper, we approximate numerically the solution of Caputo-type advection-diffusion equations of the form $D_t^{\alpha} u(t,x) = a_1(x)u_{xx}(t,x) + a_2(x)u_x(t,x) + a_3u(t,x) + a_4(t,x)$, where $D_t^{\alpha} u$ denotes the Caputo…
Perspective functions arise explicitly or implicitly in various forms in applied mathematics and in statistical data analysis. To date, no systematic strategy is available to solve the associated, typically nonsmooth, optimization problems.…
The accurate computation of non-linear optical properties (NLOPs) in large polymers requires accounting for electronic correlation effects with a reasonable computational cost. The Random Phase Approximation (RPA) used in the adiabatic…
We discuss general one and two-loops banana diagrams with arbitrary masses on the de Sitter spacetime by using direct methods of dS quantum field theory in the dimensional regularization approach. In the one-loop case we also compute the…
This paper considers the estimation and inference of the low-rank components in high-dimensional matrix-variate factor models, where each dimension of the matrix-variates ($p \times q$) is comparable to or greater than the number of…
Exponential integrators based on contour integral representations lead to powerful numerical solvers for a variety of ODEs, PDEs, and other time-evolution equations. They are embarrassingly parallelizable and lead to global-in-time…
We consider a framework for the construction of iterative schemes for operator equations that combine low-rank approximation in tensor formats and adaptive approximation in a basis. Under fairly general assumptions, we obtain a rigorous…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
In this paper, we develop a fast and accurate pseudospectral method to approximate numerically the half Laplacian $(-\Delta)^{1/2}$ of a function on $\mathbb{R}$, which is equivalent to the Hilbert transform of the derivative of the…
We present numerical upscaling techniques for a class of linear second-order self-adjoint elliptic partial differential operators (or their high-resolution finite element discretization). As prototypes for the application of our theory we…
Theoretical material investigation based on density functional theory (DFT) has been a breakthrough in the last century. Nevertheless, the optical properties calculated by DFT generally show poor agreement with experimental results…
We present a detailed study of the derivation of the Hubbard model parameters for $\kappa$-(ET)$_2$Cu$_2$(CN)$_3$ in the framework of {\it ab initio} Density Functional Theory. We show that calculations with different (i) wavefunction…
A third order expansion for Wigner-Kirkwood commutation function, a complex function in classical phase space that accounts for the Heisenberg uncertainty relation, is approximated and integrated over momentum to give a real function in…
In this article, two kinds of numerical algorithms are derived for the ultra-slow (or superslow) diffusion equation in one and two space dimensions, where the ultra-slow diffusion is characterized by the Caputo-Hadamard fractional…
Due to its highly oscillating solution, the Helmholtz equation is numerically challenging to solve. To obtain a reasonable solution, a mesh size that is much smaller than the reciprocal of the wavenumber is typically required (known as the…
The diagram technique for the one-band Hubbard model is formulated for the case of moderate to strong Hubbard repulsion. The expansion in powers of the hopping constant is expressed in terms of site cumulants of electron creation and…
A code for the numerical evaluation of hyperelliptic theta-functions is presented. Characteristic quantities of the underlying Riemann surface such as its periods are determined with the help of spectral methods. The code is optimized for…
In this paper we prove an optimal error estimate for the H(curl)-conforming projection based p-interpolation operator introduced in [L. Demkowicz and I. Babuska, p interpolation error estimates for edge finite elements of variable order in…
We study the optimal lower and upper complexity bounds for finding approximate solutions to the composite problem $\min_x\ f(x)+h(Ax-b)$, where $f$ is smooth and $h$ is convex. Given access to the proximal operator of $h$, for strongly…