Related papers: A comparison between algebraic models of molecular…
We study several classes of non-Hermitian Hamiltonian systems, which can be expressed in terms of bilinear combinations of Euclidean Lie algebraic generators. The classes are distinguished by different versions of antilinear (PT)-symmetries…
Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…
We study the SU(3) extension of the Skyrme model with vector mesons in the collective quantization scheme. The parameters of the model are fixed in its mesonic sector. Fields which are excited by the collective rotation of the classical…
Vibronic coupling has a dramatic influence over a large number of molecular processes, ranging from photo-chemistry, to spin relaxation and electronic transport. The simulation of vibronic coupling with multi-reference wavefunction methods…
A new approach to description of hadron spectroscopy is proposed. By assumption, the form of spectrum is dictated by the trace of energy momentum tensor in QCD. This provides the relativistic and renormalization invariance of hadron masses.…
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…
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…
Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models targeting tensorial properties, which are rotationally covariant.…
Quantum algebras are a mathematical tool which provides us with a class of symmetries wider than that of Lie algebras, which are contained in the former as a special case. After a self-contained introduction to the necessary mathematical…
High accuracy energies of low-lying excited states, in molecular systems, have been determined by means of a procedure which combines the G-particle-hole Hypervirial (GHV) equation method [Alcoba et al. Int. J. Quantum Chem. 109:3178…
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…
Using the Wigner-Heisenberg algebra for bosonic systems in connection with oscillators we find a new representation for the Virasoro algebra.
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…
In distributed classification, each learner observes its environment and deduces a classifier. As a learner has only a local view of its environment, classifiers can be exchanged among the learners and integrated, or merged, to improve…
We discuss the notion of partial dynamical symmetry in relation to nuclear spectroscopy. Explicit forms of Hamiltonians with partial $SU(3)$ symmetry are presented in the framework of the interacting boson model of nuclei. An analysis of…
The metabolic process in a cell is modeled with the use of the Fourier transformation. The histograms of the invariant measures of chaotic attractors are constructed. In particular, a scenario of adaptation of the metabolic process under a…
Combined-resolution simulations are an effective way to study molecular properties across a range of length- and time-scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size…
A six-dimensional Davidson potential, introduced within the framework of the Interacting Vector Boson Model (IVBM), is used to describe nuclei that exhibit transitional spectra between the purely rotational and vibrational limits of the…
We suppose that $G$ is a locally compact abelian group, $Y$ is a measure space, and $H$ is a reproducing kernel Hilbert space on $G\times Y$ such that $H$ is naturally embedded into $L^2(G\times Y)$ and it is invariant under the…
Rotational bands are commonly used in the analysis of the spectra of atomic nuclei. The early version of the interacting boson model of Arima and Iachello has been foundational to the description of rotations in nuclei. The model is based…