Related papers: A general algebraic model for molecular vibrationa…
The low spin states of chiral partner bands are described by means of harmonic oscillations of the total angular momentum vector. The validity of the adopted approximation is established in terms of triaxiality, quasiparticle alignments and…
This paper addresses the three following questions. (i) How the structures of group and of chain of groups enter nuclear, atomic and molecular spectroscopy? (ii) How these structures can be exploited, in a quantum- mechanical framework, in…
Quantum computers are ideal for solving chemistry problems due to their polynomial scaling with system size in contrast to classical computers which scale exponentially. Until now molecular energy calculations using quantum computing…
The symmetry algebra of the two-dimensional quantum harmonic oscillator with rational ratio of frequencies is identified as a non-linear extension of the u(2) algebra. The finite dimensional representation modules of this algebra are…
A generalized harmonic oscillator on noncommutative spaces is considered. Dynamical symmetries and physical equivalence of noncommutative systems with the same energy spectrum are investigated and discussed. General solutions of…
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…
The relevance of the point-symmetry group $\mathcal{D}_{4h}$ for the prediction of spectrum and electromagnetic properties of the $^{24}\mathrm{Mg}$ nucleus is discussed in the framework of the geometric $\alpha$-cluster model at leading…
This work presents the first steps to modelling synthetic rovibrational spectra for all molecules of astrophysical interest using a new approach implemented in the Prometheus code. The goal is to create a new comprehensive source of…
Quantum beats in nonlinear spectroscopy of molecular aggregates are often attributed to electronic phenomena of excitonic systems, while nuclear degrees of freedom are commonly included into models as overdamped oscillations of bath…
The stretching and bending vibrations of methane are studied in the framework of a symmetry-adapted algebraic model. The model is based on the realization of the one-dimensional Morse potential in terms of a $U(2)$ algebra. For the 44…
Various applications of quantum algebraic techniques in nuclear and molecular physics are briefly reviewed. Emphasis is put in the study of the symmetries of the anisotropic quantum harmonic oscillator with rational ratios of frequencies,…
A random matrix model to describe the coupling of $m$-fold symmetry is constructed. The particular threefold case is used to analyze data on eigenfrequencies of elastomechanical vibration of an anisotropic quartz block. It is suggested that…
We extend the notion of quasi-exactly solvable (QES) models from potential ones and differential equations to Bose systems. We obtain conditions under which algebraization of the part of the spectrum occurs. In some particular cases simple…
The aim of this article is a comprehensive description of normal modes of molecular vibrations. The starting point is chosen to be a general molecular system with separated center of mass and an arbitrary embedding of body-fixed axes. This…
Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…
We give three algebraic equations which allow a geometric classification of all spectral types of equilibria of a given $m$-dimensional dynamical system, and we analyse them thoroughly in dimension 3 and 4. The loci defined by these…
The interplay of nuclear and electronic dynamics characterizes the multi-dimensional electronic spectra of various molecular and solid-state systems. Theoretically, the observable effect of such interplay can be accounted for by response…
A classic harmonic oscillator model is developed to investigate the optical properties of coupled metal nanoparticles (MNPs) with arbitrary configuration in plane. The coupling coefficients are derived from classical electrodynamics. Using…
Vibronic spectra of molecules are typically described within the Franck-Condon model. Here, we show that highly resolved vibronic spectra of large organic molecules on a single layer of MoS$_{2}$ on Au(111) show spatial variations in their…
The multi-mode anharmonic Brownian motion model provides a universal framework for simulating molecular vibrations in condensed phases. When vibrational energy surpasses thermal excitation, quantum effects become significant, necessitating…