Related papers: Spectrum Generating Algebra for X$_{3}$ Molecules
Calculation of the rotation-vibration spectrum of H3+, as well as of its deuterated isotopologues, with near-spectroscopic accuracy requires the development of sophisticated theoretical models, methods, and codes. The present paper reviews…
This paper theoretically treats the spontaneous resonant inelastic scattering of Laguerre-Gauss (LG) beams from the totally symmetric vibrations of complex polyatomic molecules within the semi-classical framework. We develop an interaction…
We consider molecule generation in 3D space using language models (LMs), which requires discrete tokenization of 3D molecular geometries. Although tokenization of molecular graphs exists, that for 3D geometries is largely unexplored. Here,…
Rotational bands are commonplace in the spectra of atomic nuclei. Inspired by early descriptions of these bands by quadrupole deformations of a liquid drop, Elliott constructed a discrete nucleon representations of $\mathrm{SU}(3)$ from…
We present higher order polynomial algebras which are the dynamical symmetry algebras of a wide class of multi-mode boson systems in non-linear optics. We construct their unitary representations and the corresponding single-variable…
We investigate the process of circularly polarized high harmonic generation in molecules using a bicircular laser field. In this context, we show that molecules offer a very robust framework for the production of circularly polarized…
The $C_{\lambda}$-extended oscillator spectrum generating algebra is shown to be a $C_{\lambda}$-extended $(\lambda-1)$th-degree polynomial deformation of su(1,1). Its coherent states are constructed. Their statistical and squeezing…
We propose a q-deformed model of the anharmonic vibrations in diatomic molecules. We analyse the applicability of the model to the phenomenological Dunham's expansion by comparing with experimental data. Our methodology involves a global…
We extend the systematic construction of bosonic DDF operators to the light-like linear dilaton background to investigate how higher-spin string states behave beyond flat spacetime. Using previous results, we show that the…
A study is presented of the localisation of excitonic states on extended molecular aggregates composed of identical monomers arising, not from disorder due to statistical energy shifts of the monomers, induced by environmental interactions…
From the semi-empirical formalisms of Bohr-Mottelson, a new model, based on the effect of beta- and gamma- head energies and the variable moment of inertia, was developed to calculate the ground state rotational band of almost all deformed…
A semiempirical parametric method is proposed for modeling three-dimensional (time-resolved) vibronic spectra of polyatomic molecules. The method is based on the use of the fragment approach in the formation of molecular models for excited…
Spectroscopy is a crucial laboratory technique for understanding quantum systems through their interactions with electromagnetic radiation. Particularly, spectroscopy is capable of revealing the physical structure of molecules, leading to…
We consider a class of C*-algebras C(X) associated with quantum spaces such as spheres, projective spaces, and lens spaces. We introduce a non-self-adjoint operator algebra A together with an explicit functor from the category of…
Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…
We report a quantum mechanical method for calculating the momentum distributions of constituent atoms of polyatomic molecules in rotational-vibrational eigenstates. Application of the present theory to triatomic molecules in the…
We propose a new score-based approach to generate 3D molecules represented as atomic densities on regular grids. First, we train a denoising neural network that learns to map from a smooth distribution of noisy molecules to the distribution…
Coherent state theory is shown to reproduce three categories of representations of the spectrum generating algebra for an algebraic model: (i) classical realizations which are the starting point for geometric quantization; (ii) induced…
In this contribution, I discuss an algebraic treatment of alpha-cluster nuclei based on the introduction of a spectrum generating algebra for the relative motion of the alpha-clusters. Particular attention is paid to the discrete symmetry…
An ensemble of identical, intrinsically non-interacting molecules exposed to quantum light is discussed. Their interaction with the quantum light induces interactions between the molecules. The resulting hybrid light-matter states exhibit…