Related papers: Global empirical potentials from purely rotational…
Accurate $EF{}^1\Sigma^+_g-X{}^1\Sigma^+_g$ transition energies in molecular hydrogen were determined for transitions originating from levels with highly-excited vibrational quantum number, $v=11$, in the ground electronic state.…
While there have been many developments in computational probes of both strongly-correlated molecular systems and machine-learning accelerated molecular dynamics, there remains a significant gap in capabilities in simulating accurate…
We introduce a new method for modelling the gravitational wave flux function of a test-mass particle inspiralling into an intermediate mass Schwarzschild black hole which is based on Chebyshev polynomials of the first kind. It is believed…
The Isochronous Mass Spectrometry (IMS) based on storage rings is a powerful technique for mass measurement of short-lived exotic nuclei. The transition energy $\gamma_t$ of the storage ring is a vital parameter of the IMS technique. It is…
A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics…
Machine learning is used to generate empirical pseudopotentials that characterize the local screened interactions in the Kohn-Sham Hamiltonian. Our approach incorporates momentum-range-separated rotation-covariant descriptors to capture…
We apply a computationally efficient technique to validate the global structure of the pulsar magnetosphere. In this first of a series of studies, a 3D, computationally intensive, implicit Crank-Nicolson finite-difference scheme is…
Sympathetic cooling of trapped ions has been established as a powerful technique for manipulation of non-laser-coolable ions (Raizen1992,Waki1992,Bowe1999,Barrett2003). For molecular ions, it promises vastly enhanced spectroscopic…
Zero-noise extrapolation (ZNE) mitigates errors in near-term quantum devices by extrapolating measurements obtained at amplified noise levels to estimate noise-free expectation values. In practice, commonly used extrapolation models are…
Results are presented for highly accurate ab initio variational calculation of the rotation - vibration energy levels of H2O2 in its electronic ground state. These results use a recently computed potential energy surface and the variational…
We search for a first-order phase transition (PT) gravitational wave (GW) signal from Advanced LIGO and Advanced Virgo's first three observing runs. Due to the large theoretical uncertainties, four GW energy spectral shapes from bubble and…
The aim of this presentation is to promote the use of interval methods in the so called 'hard science', like physics or materials science. The example problem, simulation of ferromagnetic resonance spectra in amorphous wire, serves as an…
Adopting quantum resources for parameter estimation discloses the possibility to realize quantum sensors operating at a sensitivity beyond the standard quantum limit. Such approach promises to reach the fundamental Heisenberg scaling as a…
Obtaining a precise form for the predicted gravitational wave (GW) spectrum from a phase transition is a topic of great relevance for beyond Standard Model (BSM) physicists. Currently, the most sophisticated semi-analytic framework for…
In the $GW$ approximation, the screened interaction $W$ is a non-local and dynamical potential that usually has a complex frequency dependence. A full description of such dependence is possible but often computationally demanding. For this…
We theoretically investigate a N-type 87Rb atomic system for efficient generation and control of a non-degenerate Four wave mixing (FWM) signal in pulsed regime. The susceptibility of the atomic medium is customized as a gain profile by a…
We lay a theoretical foundation in the observation of gravitational waves (GWs) by electromagnetic waves (EMWs) performing a full electromagnetic analysis without any optical approximation. For that, the perturbation of plane EMWs is…
Accurate low and high-lying bound states of Tietz-Hua oscillator potential are presented. The radial Schr\"odinger equation is solved efficiently by means of the generalized pseudospectral method that enables optimal spatial discretization.…
Recent advances in the description of compact binary systems have produced gravitational waveforms that include inspiral, merger and ring-down phases. Comparing results from numerical simulations with those of post-Newtonian (PN), and…
Gaussian process regression has recently emerged as a powerful, system-agnostic tool for building global potential energy surfaces (PES) of polyatomic molecules. While the accuracy of GP models of PES increases with the number of potential…