相关论文: $GW$100: a plane wave perspective for small molecu…

We have implemented the so called GW approximation (GWA) based on an all-electron full-potential Projector Augmented Wave (PAW) method. For the screening of the Coulomb interaction W we tested three different plasmon-pole dielectric…

It is demonstrated that a standard coupled-mode theory can successfully describe weakly-nonlinear gravity water waves in Bragg resonance with a periodic one-dimensional topography. Analytical solutions for gap solitons provided by this…

Gravitational wave (GW) observations provide a unique opportunity to test Einstein's General Relativity (GR) in the strong-field regime. While GR predicts only two tensor polarization modes, generic metric theories allow up to six…

We describe an analysis of the First International Pulsar Timing Array Data Challenge. We employ a robust, unbiased Bayesian framework developed by van Haasteren to study the three Open and Closed datasets, testing various models for each…

In Kohn-Sham electronic structure computations, wave functions have singularities at nuclear positions. Because of these singularities, plane-wave expansions give a poor approximation of the eigenfunctions. In conjunction with the use of…

We report a laboratory search for axion-like particles (ALPs) in the eV-mass range using a variable-angle three-beam stimulated resonant photon collider. The scheme independently focuses and collides three laser beams, providing a…

The sensitivities of ground-based gravitational-wave (GW) detectors are limited by quantum shot noise at a few hundred Hertz and above. Nonetheless, one can use a quantum-correlation technique proposed by Martynov, et al. [Phys. Rev. A 95,…

The GW approximation of many-body perturbation theory is an accurate method for computing electron addition and removal energies of molecules and solids. In a canonical implementation, however, its computational cost is $O(N^4)$ in the…

The interpolation of high-dimensional potential energy surfaces (PESs) is commonly done with physically-inspired deep-neural network models. In this work, we illustrate that Gaussian Processes (GPs) are also capable of interpolating…

We describe an all-electron $G_0W_0$ implementation for periodic systems with $k$-point sampling implemented in a crystalline Gaussian basis. Our full-frequency $G_0W_0$ method relies on efficient Gaussian density fitting integrals and…

If $\gamma$-ray bursts (GRBs) are accompanied by gravitational wave bursts (GWBs) the correlated output of two gravitational wave detectors evaluated in the moments just prior to a GRB will differ from that evaluated at times not associated…

We determine and compare structural, dynamical, and electronic properties of liquid water at near ambient conditions through density-functional molecular dynamics simulations, when using either plane-wave or atomic-orbital basis sets. In…

We demonstrate that basis sets suitable for electronic structure calculations can be obtained from simple accuracy considerations for the hydrogenic one-electron ions $Y^{(Y-1)+}$ for $Y\in[1,Z]$, necessitating no self-consistent field…

We introduce an alternative route to quasiparticle self-consistent $GW$ calculations ($\mathrm{qs}GW$) on the basis of a Joint Approximate Diagonalization of the one-body $GW$ Green's functions $G(\varepsilon_n^{QP})$ taken at the input…

We present an accurate interatomic potential for graphene, constructed using the Gaussian Approximation Potential (GAP) machine learning methodology. This GAP model obtains a faithful representation of a density functional theory (DFT)…

We have obtained spatially resolved spectra of the z=3.911 triply imaged QSO APM08279+5255 using the Space Telescope Imaging Spectrograph (STIS) on board the Hubble Space Telescope (HST). We study the line of sight equivalent width (EW)…

Recently, the $GW$ approach has emerged as a valuable tool for computing deep core-level binding energies as measured in X-ray photoemission spectroscopy. However, $GW$ fails to accurately predict shake-up satellite features, which arise…

The toolbox for time-resolved direct measurements of electron dynamics covers a variety of methods. Since the experimental effort is increasing rapidly with achievable time resolution, there is an urge for simple and robust measurement…

Crosscorrelation of the outputs of two Gravitational Wave (GW) detectors has recently been proposed [1] as a method for detecting statistical association between GWs and Gamma Ray Bursts (GRBs). Unfortunately, the method can be effectively…

The accuracy of Bayesian inference can be negatively affected by the use of inaccurate forward models. In the case of gravitational-wave inference, accurate but computationally expensive waveform models are sometimes substituted with faster…