Related papers: NMR shieldings from density functional perturbatio…
Based on the multi-point propagator expansion, we present resummed perturbative calculations for cosmological power spectra and correlation functions in the context of modified gravity. In a wide class of modified gravity models that have a…
We perform a calculation of the nuclear magnetic shielding in HD and HT molecules, with complete and perturbative accounts for nuclear masses. From the difference in shielding, we obtain the deuteron and triton magnetic moments in agreement…
We benchmark many-body perturbation theory against density functional theory (DFT) for the band gaps of solids. We systematically compare four $GW$ variants $-$ $G_{0}W_{0}$ using the Godby-Needs plasmon-pole approximation…
A linear scaling method for calculation of the static {\em ab inito} response within self-consistent field theory is developed and applied to calculation of the static electric polarizability. The method is based on density matrix…
A new implementation of the GW approximation (GWA) based on the all-electron Projector-Augmented-Wave method (PAW) is presented, where the screened Coulomb interaction is computed within the Random Phase Approximation (RPA) instead of the…
We provide a detailed treatment and comparison of the weak lensing effects due to large-scale structure (LSS), or scalar density perturbations and those due to gravitational waves(GW) or tensor perturbations, on the temperature and…
Nuclear density functional theory is the prevalent theoretical framework for accurately describing nuclear properties at the scale of the entire chart of nuclides. Given an energy functional and a many-body scheme (e.g., single- or…
The purpose of this text is to give a self-contained description of the basic theory of the projector augmented-wave (PAW) method, as well as most of the details required to make the method work in practice. These two topics are covered in…
Recent Magnetospheric Multiscale (MMS) observations report approximate equality between electric and magnetic field energy spectral densities, $\varepsilon_{0} P[\delta E]/2 \approx P[\delta B]/(2\mu_{0})$, at sub-electron scales in…
We derive a time-dependent density functional theory appropriate for calculating the near-edge X-ray absorption spectrum in molecules and condensed matter. The basic assumption is to increase the space of many-body wave functions from one…
We have analyzed pion-nucleon scattering using the manifestly relativistic covariant frameworks of Infrared Regularization (IR) and Extended-On-Mass-Shell (EOMS) up to O(q^3) in the chiral expansion, where q is a generic small momentum. We…
A method to calculate NMR J-coupling constants from first principles in extended systems is presented. It is based on density functional theory and is formulated within a planewave-pseudopotential framework. The all-electron properties are…
Equations for the neutron reflection amplitude from a magnetic non-collinear wave resonator (NWR) are obtained. It is shown that resonances of the same reflection order of neutrons experiencing spin-flip (spin-flip neutrons) appear in…
In order to increase the accuracy of the linearized augmented plane wave method (LAPW) we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different…
For the purpose of maximum likelihood estimation of static parameters, we apply a kernel smoother to the particles in the standard SIR filter for non-linear state space models with additive Gaussian observation noise. This reduces the Monte…
As galaxy redshift surveys expand to larger areas on the sky, effects coming from the curved nature of the sky become important, introducing wide-angle (WA) corrections to the power spectrum multipoles at large galaxy-pair separations.…
We calculate the lowest-order non-linear contributions to the power spectrum, two-point correlation function, and smoothed variance of the density field, for Gaussian initial conditions and scale-free initial power spectra, $P(k) \sim k^n$.…
We study the response of a nucleus composed of nucleons and confined quarks. Assuming dynamics implied by a non-relativistic cluster model, we prove that the total response is a convolution of the responses of, respectively, a nucleus with…
We investigated the effect of spin polarization on the structural properties and gradient of electric field (EFG) on Sn, In, and Cd impurity in RSn$_3$ (R=Sm, Eu, Gd) and RIn$_3$ (R=Tm, Yb, Lu) compounds. The calculations were performed…
This paper presents an analytical formula that closely approximates the fully nonlinear power spectrum of matter fluctuations for redshift $z\approx 5$ to 0 over a wide range of cosmologically interesting flat models with varying matter…