Related papers: Spectroscopic Interpretation: The High Vibrations …
The Algebraic Cluster Model(ACM) is an interacting boson model that gives the relative motion of the cluster configurations in which all vibrational and rotational degrees of freedom are present from the outset. We schemed a solvable…
Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the…
We discuss the localization of wavefunctions along planes containing the shortest periodic orbits in a three-dimensional billiard system with axial symmetry. This model mimicks the self-consistent mean field of a heavy nucleus at…
We introduce an improved semiclassical dynamics approach to quantum vibrational spectroscopy. In this method, a harmonic-based phase space sampling is preliminarily driven toward non-harmonic quantization by slowly switching on the actual…
We introduce a hybrid classical-quantum algorithm to compute dynamical correlation functions and excitation spectra in many-body quantum systems, with a focus on molecular systems. The method combines classical preparation of a perturbed…
We consider the quantum entanglement of the electronic and vibrational degrees of freedom in molecules with a tendency towards double welled potentials using model coupled harmonic diabatic potential-energy surfaces. The von Neumann entropy…
Classical simulation of quantum systems plays an important role in the study of many-body phenomena and in the benchmarking and verification of quantum technologies. Exact simulation is often limited to small systems because the dimension…
After the study of the three body molecular system H$_2^+$ ({\it J. Phys. B: At. Mol. Opt. Phys.} {\bf 45} 065101), its isotopomer, the deuterium molecular ion D$_2^+$ is studied. The three-body Schr\"odinger equation is solved using the…
Quantum dynamical semigroups are applied to the study of the time evolution of harmonic oscillators, both bosonic and fermionic. Explicit expressions for the density matrices describing the states of these systems are derived using the…
We describe quantum behaviors of a simple harmonic oscillator, starting from the classical mechanics. By imposing two conditions on the phase points generated from a symplectic algorithm, we obtain discrete energy levels, satisfying $E_n…
The recently introduced coupled cluster (CC) downfolding techniques for reducing the dimensionality of quantum many-body problems recast the CC formalism in the form of the renormalization procedure allowing, for the construction of…
Signatures of excited-state quantum phase transitions in the bending degree of freedom of triatomic systems that undergo an isomerization reaction have been recently evinced. In this work, we study the carbonyl sulfide bending motion using…
We present an action of ultra-relativistic electrodynamics on a flat Carroll manifold. The model exhibits a couple of physical degrees of freedom per space-point. We observe that the action of the conformal Carroll algebra on the phase…
We demonstrate that the Dynamic Mode Decomposition technique can effectively reduce the amount of noise in Dispersive Fourier Transform dataset; and allow for finer quantitative analysis of the experimental data. We therefore were able to…
We propose a method to incorporate the coupling between shape and pairing collective degrees of freedom in the framework of the interacting boson model (IBM), based on the nuclear density functional theory. To account for pairing…
Vibrational spectroscopy is a powerful technique to characterize the near-equilibrium dynamics of molecules in the gas- and the condensed-phase. This contribution summarizes efforts from computer-based methods to gain insight into the…
Here I present a new discrete model of quantum mechanics for relativistic 1-electron systems, in which particle movement is described by a directed space-time graph with attached 4-spinors, but without any continuous wave functions. These…
Low-lying quadrupole shape dynamics is a typical manifestation of large amplitude collective motion in finite nuclei. To describe the dynamics on a microscopic foundation, we have formulated a consistent scheme in which the Bohr collective…
We study various properties of the vibrational normal modes for Coulomb-interacting particles in two-dimensional irregular confinement using numerical simulations. By analyzing the participation ratio and spectral statistics, we…
We perform Discrete Element Method (DEM) simulations of granular particles (polystyrene spheres) vibrated inside a cubic container. The study investigates the evolution of the packing fraction with and without rotational friction at…