Related papers: Ab-initio calculation of phonon dispersion curves:…
Collective excitations in simple metal systems can be described successfully in terms of a local one-body excitation operator Q, due to the long range nature of the coulomb interaction. For the plasmon modes of a simple-metal slab, momentum…
Computationally efficient numerical methods for high-order approximations of convolution integrals involving weakly singular kernels find many practical applications including those in the development of fast quadrature methods for…
We derive a new parton-like formula, which establishes a simple connection between the electroweak decay rate $\Gamma (\bar B \to X_s\gamma$) and the rate of a free b-quark decay. The main features of our approach are the treatment of the…
We develop and compare several analytical approximations for the polaron problem in finite-width, non-parabolic conduction bands. The main focus of the work is an extension of the Feynman variational method to a tight-binding lattice, where…
We apply the functional renormalization-group (FRG) equation to analyze the nature of the QCD critical point beyond the mean-field approximation by taking into consideration the fact that the soft mode associated with the QCD critical point…
Within the framework of the full potential projector-augmented wave methodology, we present a promising low-scaling $GW$ implementation. It allows for quasiparticle calculations with a scaling that is cubic in the system size and linear in…
We describe a set of techniques for performing large scale ab initio calculations using multigrid accelerations and a real-space grid as a basis. The multigrid methods provide effective convergence acceleration and preconditioning on all…
We study the radiative decay B -> gamma l nu_l in the framework of QCD factorization. We demonstrate explicitly that, in the heavy-quark limit and at one-loop order in perturbation theory, the amplitude does factorize, i.e. that it can be…
The reasonableness of the use of perturbative QCD notions in the region close to the scale of hadronization, i.e., below $\lesssim 1 \GeV$ is under study. First, the interplay between higher orders of pQCD expansion and higher twist…
We report first-principles calculations of the phonon dispersion spectrum, thermal expansion, and heat capacity of uranium dioxide. The so-called direct method, based on the quasiharmonic approximation, is used to calculate the phonon…
We suggest an inverse dispersion method for calculating photonic band diagram for materials with arbitrary frequency-dependent dielectric functions. The method is able to calculate the complex wave vector for a given frequency by solving…
Phonons crucially impact a variety of properties of organic semiconductor materials. For instance, charge- and heat transport depend on low-frequency phonons, while for other properties, such as the free energy, especially high-frequency…
abridged] A method to rapidly estimate the Fourier power spectrum of a point distribution is presented. This method relies on a Taylor expansion of the trigonometric functions. It yields the Fourier modes from a number of FFTs, which is…
We develop a low-energy continuum model for phonons in twisted moir\'e bilayers, based on a configuration-space approach. In this approach, interatomic force constants are obtained from density functional theory (DFT) calculations of…
We propose a feasible waveguide design optimized for harnessing Stimulated Brillouin Scattering with long-lived phonons. The design consists of a fully suspended ridge waveguide surrounded by a 1D phononic crystal that mitigates losses to…
The Drell-Hearn-Gerasimov and Bjorken sum rules are special examples of dispersive sum rules for the spin-dependent structure function G_1(\nu, Q^2) at Q^2=0 and \infty. We generalize these sum rules through studying the virtual-photon…
We discuss decoherence in charge qubits formed by multiple lateral quantum dots in the framework of the spin-boson model and the Born-Markov approximation. We consider the intrinsic decoherence caused by the coupling to bulk phonon modes.…
We compute the phonon dispersion, density of states, and the Gr\"uneisen parameters of bulk palladium in the combined density functional theory (DFT) and dynamical mean-field theory (DMFT). We find good agreement with experimental results…
In this brief paper, we go through the theoretical steps of the spectral clustering on quantum computers by employing the phase estimation and the amplitude amplification algorithms. We discuss circuit designs for each step and show how to…
Ab initio techniques for studying the optical and vibrational properties of materials are well-established, but only a few recent studies have focused on the interaction between excitons and atomic vibrations. In this paper, we revisit the…