Related papers: Projected Augmented Waves (PAW) motivated mixed ba…
Electron pairs have an illustrious history in chemistry, from powerful concepts to understanding structural stability and reactive changes, to the promise of serving as building blocks of quantitative descriptions of the electronic…
A general procedure for the optimization of atomic density-fitting basis functions is designed with the balance between accuracy and numerical stability in mind. Given one-electron wavefunctions and energies, weights are assigned to the…
The Bethe-Salpeter equation (BSE) based on GW quasiparticle levels is a successful approach for calculating the optical gaps and spectra of solids and also for predicting the neutral excitations of small molecules. We here present an…
We numerically study the acoustic parametric amplification of spin waves using surface acoustic waves (SAW) in a magnetic thin film. First, we illustrate how the process of parametric spin-wave generation using short-waved SAWs with a fixed…
We present a plane wave implementation of the G0W0 approximation within the projector augmented wave method code GPAW. The computed band gaps of ten bulk semiconductors and insulators deviate on average by 0.2 eV (~ 5 %) from the…
An algorithm and numerical code for the up-sampling of a system of particles, from a smaller to a larger number, is described. The method introduces a Poissonian `shot-noise' to the up-sampled distribution, typical of the noise statistics…
We present an all-electron, periodic {\GnWn} implementation within the numerical atomic orbital (NAO) basis framework. A localized variant of the resolution-of-the-identity (RI) approximation is employed to significantly reduce the…
A photon-like wavepacket based on novel solutions of Maxwell's equations is proposed. It is believed to be the first 'classical' model that contains so many of the accepted quantum features. In this new work, novel solutions to Maxwell's…
Microstructured optical waveguides (MOW) are of great interest for chemical and biological sensing. Due to the high overlap between a guiding light mode and an analyte filling of one or several fiber capillaries, such systems are able to…
This study develops a theoretical framework for modeling acoustic pulse propagation in a non-ideal shallow-water waveguide. We derive an {\epsilon}-pseudodifferential operator ({\epsilon}-PDO) formulation from the general three-dimensional…
We present equations of motion (EOMs) for general time-dependent wave functions with exponentially parametrized biorthogonal basis sets. The equations are fully bivariational in the sense of the time-dependent bivariational principle…
The traditional Gaussian basis sets used in modern quantum chemistry lack an electron-nuclear cusp, and hence struggle to accurately describe core electron properties. A recently introduced novel type of basis set, mixed ramp-Gaussians,…
Different electron acceleration regimes in the evanescent field of a surface plasma wave are studied by considering the interaction of a test electron with the high-frequency electromagnetic field of a surface wave. The non-relativistic and…
We present the experimental observation of the localized amplification of externally excited spin waves in a transversely in-plane magnetized Ni$_{81}$Fe$_{19}$ magnonic waveguide by means of parallel pumping. By employing microfocussed…
In the context of the expected-posterior prior (EPP) approach to Bayesian variable selection in linear models, we combine ideas from power-prior and unit-information-prior methodologies to simultaneously produce a minimally-informative…
A Rayleigh-type surface acoustic wave (SAW) is used in various fields as classical and quantum information carriers because of its surface localization, high electrical controllability, and low propagation loss. Coupling and hybridization…
Electromagnetic particle-in-cell (PIC) codes are widely used to perform computer simulations of a variety of physical systems, including fusion plasmas, astrophysical plasmas, plasma wakefield particle accelerators, and secondary photon…
Laser-induced molecular alignment is well understood within the framework of the Born-Oppenheimer (BO) approximation Without the BO approximation, however, the concept of molecular structure is lost, making alignment hard to define…
A recent proposal describes space based gravitational wave (GW) detection with optical lattice atomic clocks [Kolkowitz et. al., Phys. Rev. D 94, 124043 (2016)] [1]. Based on their setup, we propose a new measurement method for…
We introduce a reduced basis approach as a new paradigm for modeling, representing and searching for gravitational waves. We construct waveform catalogs for non-spinning compact binary coalescences, and we find that for accuracies of 99%…