Related papers: Geminal wavefunction models in chemistry
We present a detailed descriptive analysis of the gravitational radiation from black-hole binary mergers of nonspinning black holes, based on numerical simulations of systems varying from equal-mass to a 6:1 mass ratio. Our primary goal is…
Extended Lagrangian Born-Oppenheimer molecular dynamics [Niklasson, Phys. Rev. Lett. 100 123004 (2008)] has been generalized to the propagation of the electronic wavefunctions. The technique allows highly efficient first principles…
One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their steep scaling with system size prohibits their application…
Classical molecular dynamics (MD) is a well established and powerful tool in various fields of science, e.g. chemistry, plasma physics, cluster physics and condensed matter physics. Objects of investigation are few-body systems and…
Coalescing binary black-hole systems are among the most promising sources of gravitational waves for ground-based interferometers. While the \emph{inspiral} and \emph{ring-down} stages of the binary black-hole coalescence are well-modelled…
For variational algorithms on the near term quantum computing hardware, it is highly desirable to use very accurate ansatze with low implementation cost. Recent studies have shown that the antisymmetrized geminal power (AGP) wavefunction…
A partially first-order form of the characteristic formulation is introduced to control the accuracy in the computation of gravitational waveforms produced by highly distorted single black hole spacetimes. Our approach is to reduce the…
The wave mechanics theory of microwave absorption challenges the long-standing impedance-matching and quarter-wavelength paradigms by demonstrating that conventional models mistakenly conflate bulk material parameters with thin-film…
We describe a novel approach for computing wave correlation functions inside finite spatial domains driven by complex and statistical sources. By exploiting semiclassical approximations, we provide explicit algorithms to calculate the local…
This paper presents a new technique to calculate the evolution of a quantum wavefunction in a chosen spatial basis by minimizing the accumulated action. Introduction of a finite temporal basis reduces the problem to a set of linear…
We introduce a highly-parallelizable architecture for estimating parameters of compact binary coalescence using gravitational-wave data and waveform models. Using a spherical harmonic mode decomposition, the waveform is expressed as a sum…
Gravitational wave (GW) astronomy has consolidated its role as a new observational window to reveal the properties of compact binaries in the Universe. In particular, the discovery of the first binary neutron star coalescence, GW170817, led…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
Gravitational-wave analyses depend heavily on waveforms that model the evolution of compact binary coalescences as seen by observing detectors. In many cases these waveforms are given by waveform approximants, models that approximate the…
In this paper we design and use two Deep Learning models to generate the ground and excited wavefunctions of different Hamiltonians suitable for the study the vibrations of molecular systems. The generated neural networks are trained with…
Recent proposals for space-borne gravitational wave detectors based on atom interferometry rely on extremely narrow single-photon transition lines as featured by alkaline-earth metals or atomic species with similar electronic configuration.…
This paper provides a tutorial overview over recent vigorous efforts to develop computing systems based on spin waves instead of charges and voltages. Spin-wave computing can be considered as a subfield of spintronics, which uses magnetic…
The fields of cavity quantum electrodynamics and magnetism have recently merged into \textit{`cavity spintronics'}, investigating a quasiparticle that emerges from the strong coupling between standing electromagnetic waves confined in a…
Generalization of Gaussian trial wave functions in quantum molecular dynamics models is introduced, which allows for long-range correlations characteristic for composite nuclear fragments. We demonstrate a significant improvement in the…
Gutzwiller wavefunction is a physically well motivated trial wavefunction for describing correlated electron systems. In this work, a new approximation is introduced to facilitate evaluation of the expectation value of any operator within…