Related papers: Accurate polarization within a unified Wannier fun…
A versatile method for combining density functional theory (DFT) in the local density approximation (LDA) with dynamical mean-field theory (DMFT) is presented. Starting from a general basis-independent formulation, we use Wannier functions…
The Pauli--Villars regularization procedure confirms and sharpens the conclusions reached previously by covariant point splitting. The divergences in the stress tensor of a quantized scalar field interacting with a static scalar potential…
Following the ideas of Andrei Lerner in [ A pointwise estimate for the local sharp maximal function with applications to singular integrals" Bull. London Math. Soc. 42 (2010) 843856], we obtain another decomposition of an arbitrary…
We have developed a practical scheme to construct partly occupied, maximally localized Wannier functions (WFs) for a wide range of systems. We explain and demonstrate how the inclusion of selected unoccupied states in the definition of the…
It is proved that for general, not necessarily periodic quasi one dimensional systems, the band position operator corresponding to an isolated part of the energy spectrum has discrete spectrum and its eigenfunctions have the same spatial…
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 develop the theory and practical expressions for the full quantum-mechanical distribution of the intrinsic macroscopic polarization of an insulator in terms of the ground state wavefunction. The central quantity is a cumulant generating…
We derive quasi-collinear factorization formulas in generic spontaneously broken gauge theories with scalars, fermions, and vector bosons. Specifically, we obtain polarized leading-order splitting functions for all possible final-state and…
We have calculated the maximally-localized Wannier functions of MnO in its antiferromagnetic (AFM) rhombohedral unit cell, which contains two formula units. Electron Bloch functions are obtained with the linearized augmented plane-wave…
In the first order of the fine structer constant, the polarization operator of a photon is investigated in a constant and homogeneous magnetic field at arbitrary photon energies. For weak and strong fields H, compared with the Schwinger…
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,…
In this paper we address the problem of estimating the operator norm of the embeddings between multidimensional weighted Paley-Wiener spaces. These can be equivalently thought as Fourier uncertainty principles for bandlimited functions. By…
We present an algorithm for the adaptive tetrahedral integration over the Brillouin zone of crystalline materials, and apply it to compute the optical conductivity, dc conductivity, and thermopower. For these quantities, whose contributions…
We present a wavefunction-based approach to correlated ab initio calculations on crystalline insulators of infinite extent. It uses the representation of the occupied and the unoccupied (virtual) single-particle states of the infinite solid…
We summarize recent developments in the field of higher dimensional bosonization made by the authors and collaborators and propose a general formula for the field operator in terms of currents and densities in one dimension using a new…
We present a novel analysis method for measurements of polarization transferred in $A(\vec{e},e'\vec{N})$ experiments, which can be applied to other kinds of polarization measurements as well. In this method the polarization transfer…
We discuss a correlation function factorization, which relates a three-point function to the square root of three two-point functions. This factorization is known to hold for certain scaling operators at the two-dimensional percolation…
The polarization of the $\Lambda$ particle offers the unique opportunity to study the hydrodynamic gradients in the Quark-Gluon Plasma formed in heavy-ion collisions. However, the theoretical formula commonly used to calculate polarization…
Calculations of properties of materials require performing numerical integrals over the Brillouin zone (BZ). Integration points in density functional theory codes are uniformly spread over the BZ (despite integration error being…
One of the unexplored benefits of studying layer potentials on smooth, closed hypersurfaces of Euclidean space is the factorization of the Neumann-Poincar\'e operator into a product of two self-adjoint transforms. Resurrecting some…