Related papers: First-principles density-functional calculations u…
The use of Laplacian eigenfunctions is ubiquitous in a wide range of computer graphics and geometry processing applications. In particular, Laplacian eigenbases allow generalizing the classical Fourier analysis to manifolds. A key drawback…
Principal component analysis has been a main tool in multivariate analysis for estimating a low dimensional linear subspace that explains most of the variability in the data. However, in high-dimensional regimes, naive estimates of the…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
We describe the global dynamics of some pointwise periodic piecewise linear maps in the plane that exhibit interesting dynamic features. For each of these maps we find a first integral. For these integrals the set of values are discrete,…
We present a systematic study of the performance of numerical pseudo-atomic orbital basis sets in the calculation of dielectric matrices of extended systems using the self-consistent Sternheimer approach of [F. Giustino et al., Phys. Rev. B…
In this paper we develop a method capable of modeling the space-time focusing of nondiffracting pulses. The new pulses can possess arbitrary peak velocities and, in addition to being resistant to diffraction, can have their peak intensities…
The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…
In this paper, we apply the effective potentials in the localization landscape theory (Filoche et al., 2012, Arnold et al., 2016) to study the spectral properties of the incommensurate systems. We uniquely develop a plane wave method for…
We study acoustic propagation in one dimensional water ducts containing many air-filled blocks. The acoustic band structures for the periodic arrangements of the blocks is calculated, whereas the transmission for various random…
Doppler reflectometry spatial and wavenumber resolution is analyzed within the framework of the linear Born approximation in slab plasma model. Explicit expression for its signal backscattering spectrum is obtained in terms of wavenumber…
In the context of functional data analysis, probability density functions as non-negative functions are characterized by specific properties of scale invariance and relative scale which enable to represent them with the unit integral…
This paper shows that the plane wave expansion can be a useful tool in obtaining analytical solutions to infinite integrals over spherical Bessel functions and the derivation of identites for these functions. The integrals are often used in…
We present a local Fourier slice equation that enables local and sparse projection of a signal. Our result exploits that a slice in frequency space is an iso-parameter set in spherical coordinates. Therefore, the projection of suitable…
We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…
First principles linear combinations of Gaussian type orbitals-fitting function (LCGTO-FF) electronic structure calculations are used to study thickness dependencies in the surface energies and work functions of ultra-thin (111) films of…
In the first part of this article the various experimental sectors of physics in which Superluminal motions seem to appear are briefly mentioned, after a sketchy theoretical introduction. In particular, a panoramic view is presented of the…
In the last decade, methods based on various kinds of spherical wavelet bases have found applications in virtually all areas where analysis of spherical data is required, including cosmology, weather prediction, and geodesy. In particular,…
In this paper, the problem of providing a complete parametrization of the minimal spectral factors of a discrete-time rational spectral density is considered. The desired parametrization, given in terms of the all-pass divisors of a certain…
This paper proposes a novel framework for the approximation and analysis of circular density data using compositional periodic splines within Bayes spaces with the Hilbert space structure. By applying the centered log-ratio transformation,…
We derive from first principles an accurate homogenized description of periodic metamaterials made of magnetodielectric inclusions, highlighting and overcoming relevant limitations of standard homogenization methods. We obtain closed-form…