Related papers: Exact quantum dynamics background of dispersion in…
In this paper, we study within the structure of Symplectic Quantum Mechanics a bi-dimensional non-relativistic strong interaction system which represent the bound state of heavy quark-antiquark, where we consider a Cornell potential which…
We investigate within the formalism of Symplectic Quantum Mechanics a two-dimensional non-relativistic strong interacting system that represents the bound heavy quark-antiquark state, where it was considered a linear potential in the…
Within the framework of the instantaneous Bethe-Salpeter equation, we present a detailed analysis of light meson spectra with respect to various parameterizations of confinement in Dirac space. Assuming a linearly rising quark-antiquark…
Accurate rate coefficients for molecular vibrational transitions due to collisions with H$_2$, critical for interpreting infrared astronomical observations, are lacking for most molecules. Quantum calculations are the primary source of such…
In a series of papers we study the stellar dynamics of the grand design barred-spiral galaxy NGC~1300. In the first paper of this series we estimate the gravitational potential and we give it in a form suitable to be used in dynamical…
Simulations of decaying magnetohydrodynamic (MHD) turbulence are performed with a fluid and a kinetic code. The initial condition is an ensemble of long-wavelength, counter-propagating, shear-Alfv\'{e}n waves, which interact and rapidly…
Our work is motivated by the analysis of ash plume dynamics, arising in the study of volcanic eruptions. Such phenomena are characterized by large Reynolds number (exceeding $10^7$) and a large number of polydispersed particles~[1]. Thus,…
We develop a novel approach for the self-consistent solution of coupled sets of Bethe-Salpeter and Schwinger-Dyson equations in QCD. This framework allows us to maintain the axial Ward-Takahashi identities of the theory within advanced…
The hydrogen molecule has become a test ground for quantum electrodynamical calculations in molecules. Expanding beyond studies on stable hydrogenic species to the heavier radioactive tritium-bearing molecules, we report on a measurement of…
We present a simple and efficient method to incorporate anharmonic effects in the vibrational \textcolor{black}{analyses} of molecules within density functional theory (DFT) calculations. This approach is closely related to the traditional…
We present a comprehensive analysis of four-body scattering in one-dimensional (1D) quantum systems using the adiabatic hyperspherical representation (AHR). Focusing on dimer-dimer collisions between two species of fermions interacting via…
We present a new set of three-body interaction models based on the Bruch-McGee (BM) potential that are suitable for the study of the energy, structural and elastic properties of solid 4He at high pressure. Our ab initio three-body…
Metasurfaces composed of subwavelength unit cells usually require a large number of unit cells which leads to complicated design and optimization. Aggressive discretization in a metasurface can significantly reduce the number of unit cells…
Two new nine-dimensional potential energy surfaces (PESs) have been generated using high-level \textit{ab initio} theory for the two main isotopologues of methyl chloride, CH$_{3}{}^{35}$Cl and CH$_{3}{}^{37}$Cl. The respective PESs,…
Meshless methods are commonly used to determine numerical solutions to partial differential equations (PDEs) for problems involving free surfaces and/or complex geometries, approximating spatial derivatives at collocation points via local…
A new variational technique for investigation of the ground state and correlation functions in 1D quantum magnets is proposed. A spin Hamiltonian is reduced to a fermionic representation by the Jordan-Wigner transformation. The ground state…
A GW calculation based on a truncated Coulomb interaction with an added small q limit was applied to 2D van der Waals heterolayered structures, and the Kane dispersion model was used to determine the accurate band gap edge. All ab initio…
Machine-learned interatomic potentials (MLIPs) based on message passing neural networks hold promise to enable large-scale atomistic simulations of complex materials with ab initio accuracy. A number of MLIPs trained on energies and forces…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
A novel quantum dynamical method to simulate vibronic reaction dynamics in molecules at metal surfaces is proposed. The method is based on the hierarchical quantum master equation approach and uses a discrete variable representation of the…