Related papers: Dynamically Corrected Bethe-Salpeter Equation Solv…
A new computationally efficient method has been introduced to treat self-gravity in mesh based hydrodynamical simulations. It is applied simply by slightly modifying the Poisson equation into an inhomogeneous wave equation. This roughly…
The Bethe-Salpeter approach allows for quantum-field-theoretic descriptions of relativistic bound states; its inherent complexity, however, usually prevents to find its exact solutions. Under suitable simplifying assumptions about the…
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…
Ground State Energy Estimation (GSEE) is a central problem in quantum chemistry and condensed matter physics, demanding efficient algorithms to solve complex electronic structure calculations. This work introduces a structured benchmarking…
Higher order fluctuation expansions for stochastic heat equations (SHE) with nonlinear, non-conservative and conservative noise are obtained. These Edgeworth-type expansions describe the asymptotic behavior of solutions in suitable joint…
We introduce a method for solving a self consistent electronic calculation within localized atomic orbitals, that allows us to converge to the complete basis set (CBS) limit in a stable, controlled, and systematic way. We compare our…
We study the dynamical generation of resonances in isospin singlet channels with mixing between two- and four-quark states. To this end we generalise a Bethe-Salpeter approach to four-quark states employed previously \cite{Heupel:2012ua} to…
The high-order accurate continuous Galerkin finite element method offers attractive computational efficiency for computational fluid dynamics. A challenge is however spurious oscillations which result for convection dominated flows over…
The dependence of ab initio many-body perturbation theory within the $GW$ approximation on the eigensystem used in calculating quasiparticle corrections limits this method's predictive power. Here, we investigate the accuracy of the…
In this work we show the advantages of using the Coulomb-hole plus screened-exchange (COHSEX) approach in the calculation of potential energy surfaces. In particular, we demonstrate that, unlike perturbative $GW$ and partial self-consistent…
To expand the QUEST database of highly-accurate vertical transition energies, we consider a series of large organic chromogens ubiquitous in dye chemistry, such as anthraquinone, azobenzene, BODIPY, and naphthalimide. We compute, at the CC3…
PET requires accurate, precise, and efficient scatter correction techniques. Conventional scatter estimation typically relies on tail-fitted single-scatter simulation (SSS) strategy. However, the accuracy of tail-fitted SSS is limited, for…
We introduce the stochastic Boltzmann equation (SBE) as an approach for exploring the spin dynamics of magnetic molecules coupled to a stochastic environment. The SBE is a time-evolution equation for the probability density of the spin…
We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged…
We present an approach to calculate the electronic structure for a range of materials using the quasiparticle self-consistent GW method with vertex corrections included in the screened Coulomb interaction W. This is achieved by solving the…
We investigate the dynamics of an effectively one-dimensional Bose-Einstein condensate (BEC) with scattering length $a$ subjected to a spatially periodic modulation, $a=a(x)=a(x+L)$. This "collisionally inhomogeneous" BEC is described by a…
The periodic standing wave (PSW) method for the binary inspiral of black holes and neutron stars computes exact numerical solutions for periodic standing wave spacetimes and then extracts approximate solutions of the physical problem, with…
We introduce numerical solvers for the steady-state Boltzmann equation based on the symmetric Gauss-Seidel (SGS) method. Due to the quadratic collision operator in the Boltzmann equation, the SGS method requires solving a nonlinear system…
Gaussian processes are the model of choice in Bayesian optimization and active learning. Yet, they are highly dependent on cleverly chosen hyperparameters to reach their full potential, and little effort is devoted to finding good…
We develop a method for finding the time evolution of exactly solvable models by Bethe ansatz. The dynamical Bethe wavefunction takes the same form as the stationary Bethe wavefunction except for time varying Bethe parameters and a complex…