Related papers: Approximating Maximally Localized Wannier Function…
Many interesting functions arising in applications map into Riemannian manifolds. We present an algorithm, using the manifold exponential and logarithm, for approximating such functions. Our approach extends approximation techniques for…
We use the dispersive properties of the linear Schr\"{o}dinger equation to prove local well-posedness results for the Boltzmann equation and the related Boltzmann hierarchy, set in the spatial domain $\mathbb{R}^d$ for $d\geq 2$. The proofs…
We review the formalisms of the self-consistent GW approximation to many-body perturbation theory and of the generation of optimally-localized Wannier functions from groups of energy bands. We show that the quasiparticle Bloch wave…
Exact (Hartree Fock) exchange is needed to overcome some of the limitations of local and semilocal approximations of density functional theory (DFT). So far, however, computational cost has limited the use of exact exchange in plane wave…
We show that an optimized projection functions method can automatically construct maximally localized Wannier functions even for bands with nontrivial topology. We demonstrate this method on a tight-binding model of a two-dimensional…
Eigenfunctions of the Schrodinger equation with the Coulomb potential in the imaginary Lobachevsky space are studied in two coordinate systems admitting solutions in terms of hypergeometric functions. Normalization and coefficients of…
Many elliptic boundary value problems exhibit an interior regularity property, which can be exploited to construct local approximation spaces that converge exponentially within function spaces satisfying this property. These spaces can be…
It is shown that a recently conjectured form for the critical scaling function for planar self-avoiding polygons weighted by their perimeter and area also follows from an exact renormalization group flow into the branched polymer problem,…
Over the last two decades, following the early developments on maximally localized Wannier functions, an ecosystem of electronic-structure simulation techniques and software packages leveraging the Wannier representation has flourished.…
We introduce a new approximate solution technique for first-order Markov decision processes (FOMDPs). Representing the value function linearly w.r.t. a set of first-order basis functions, we compute suitable weights by casting the…
M\"untz spaces satisfying the M\"untz and gap conditions are considered. A Fourier approximation of functions in the M\"untz spaces $M_{\Lambda ,p}$ of $L_p$ functions is studied, where $1<p<\infty $. It is proved that up to an isomorphism…
The construction of optimally localized Wannier functions (and Wannier functions in general) for a Chern insulator has been considered to be impossible owing to the fact that the second moment of such functions is generally infinite. In…
We consider the applicability of phase space Wannier functions" to electronic structure calculations. These generalized Wannier functions are analogous to localized plane waves and constitute a complete, orthonormal set which is…
For fields that vary slowly on the scale of the lightest mass the logarithm of the vacuum functional can be expanded as a sum of local functionals, however this does not satisfy the obvious form of the Schr\"odinger equation. For…
We evaluate some methods designed for tensor- (or data-) based multivariate model construction (approximation and compression). To this aim, a collection of multivariate functions and an evaluation methodology are suggested. First, these…
Maximally localized Wannier functions are localized orthogonal functions that can accurately represent given Bloch eigenstates of a periodic system at a low computational cost, thanks to the small size of each orbital. Tight-binding models…
When using Wannier functions to study the electronic structure of multi-parameter Hamiltonians $H^{(\boldsymbol k,\bf \lambda)}$ carrying a dependence on crystal momentum $\boldsymbol k$ and an additional periodic parameter $\bf\lambda$,…
We study the homogenization of a Schr\"{o}dinger equation in a locally periodic medium. For the time and space scaling of semi-classical analysis we consider well-prepared initial data that are concentrated near a stationary point (with…
Wannier functions of the one dimensional Schroedinger equation with elliptic one gap potentials are explicitly constructed. Properties of these functions are analytically and numerically investigated. In particular we derive an expression…
We study the existence and localization of eigenvalue-eigenfunction pairs for parameter-dependent Neumann BVPs with a functional term. By reformulating the problems as a Hammerstein integral equation, we apply an existence and localization…