Related papers: Benchmark of GW approaches for the GW100 testset
Using a series of increasingly refined wavefunction methods able to tackle electronic excited states, namely ADC(2), CC2, CCSD, CCSDR(3) and CC3, we investigate the interplay between geometries and 0-0 energies. We show that, due to a…
We show how to construct an effective Hamiltonian whose dimension scales linearly with system size, and whose eigenvalues systematically approximate the excitation energies of GW theory. This is achieved by rigorously expanding the…
A semiclassical distorted wave (SCDW) model with Wigner transform of one-body density matrix is presented for multistep direct $(p,p^{\prime}x)$ reactions to the continuum. The model uses Wigner distribution functions obtained in methods…
We present a tight-binding based GW approach for the calculation of quasiparticle energy levels in confined systems such as molecules. Key quantities in the GW formalism like the microscopic dielectric function or the screened Coulomb…
We propose a novel approach to quasiparticle GW calculations which does not require the computation of unoccupied electronic states. In our approach the screened Coulomb interaction is evaluated by solving self-consistent linear-response…
Using many-body perturbation theory within the $G_0W_0$ approximation, we explore routes for computing the ionization potential (IP), electron affinity (EA), and fundamental gap of three gas-phase molecules -- benzene, thiophene, and (1,4)…
Recent observations by pulsar timing arrays indicate the presence of gravitational wave signals, likely from supermassive black hole binaries. These binaries can produce two types of signals: a stochastic gravitational wave background (GWB)…
Stochastic gravitational wave background (SGWB) is a promising tool to probe the very early universe where the standard model of particle physics and cosmology are connected closely. As a possible component of SGWB, gravitational waves (GW)…
In this work we report briefly on the gravitational wave (GW) signal computed in the context of a self-consistent, 3D simulation of a core-collapse supernova (CCSN) explosion of a 15M$_\odot$ progenitor star. We present a short overview of…
The direct detection of gravitational waves by the LIGO-Virgo collaboration has opened a new window with which to measure cosmological parameters such as the Hubble constant $H_0$, and also probe general relativity on large scales. In this…
We propose a novel Skew Gradient Embedding (SGE) framework for systematically reformulating thermodynamically consistent partial differential equation (PDE) models-capturing both reversible and irreversible processes-as generalized gradient…
We present the gravitational wave (GW) analysis of an extensive series of 3D MHD core-collapse simulations. Our 25 models are launched from a 15 solar mass progenitor, a spherically symmetric effective general relativistic potential, the…
The many-body perturbation theory within the $GW$ approximation is a widely used method for describing the electronic band structures in real materials. Its application to large-scale systems is, however, impeded by its high computational…
We use data on the local 3-dimensional galaxy distribution for studying the statistics of the detection rates of gravitational waves (GW) coming from supernova explosions. We consider both tensor and scalar gravitational waves which are…
The Gromov-Wasserstein (GW) problem, a variant of the classical optimal transport (OT) problem, has attracted growing interest in the machine learning and data science communities due to its ability to quantify similarity between measures…
With the aim of identifying universal trends, we compare fully self-consistent electronic spectra and total energies obtained from the GW approximation with those from an extended GWGamma scheme that includes a nontrivial vertex function…
We give a detailed presentation of our recent scheme to include correlation effects in molecular transport calculations using the GW approximation within the non-equilibrium Keldysh formalism. We restrict the GW self-energy to the central…
Gravitational waves (GWs) can provide crucial information about the central engines of core-collapse supernovae (CCSNe). In order to unveil the nature of GW emission in CCSNe, we apply perturbative analyses with the same underlying…
This work investigates the problem of detecting gravitational wave (GW) events based on simulated damped sinusoid signals contaminated with white Gaussian noise. It is treated as a classification problem with one class for the interesting…
The many-body $GW$ formalism, for the calculation of ionization potentials or electronic affinities, relies on the frequency-dependent dielectric function built from the electronic degrees of freedom. Considering the case of water as a…