Related papers: A comparison between algebraic models of molecular…
CMB spectral distortions are induced by Compton collisions with electrons. We review the various schemes to characterize the anisotropic CMB with a non-Planckian spectrum. We advocate using logarithmically averaged temperature moments as…
In polaritons, the properties of matter are modified by mixing the molecular transitions with light modes inside a cavity. Resultant hybrid light-matter states exhibit energy level shifts, are delocalized over many molecular units and have…
We investigate how vibration affects molecular photoemission dynamics, through simulations on two-dimension asymmetric model molecules including the electronic and nuclear motions in a fully correlated way. We show that a slight anisotropy…
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…
There will be a paradigm shift in chemical and biological research, to be enabled by autonomous, closed-loop, real-time self-directed decision-making experimentation. Spectrum-to-structure correlation, which is to elucidate molecular…
We present two examples of non-Hermitian Hamiltonians which consist of an unperturbed part plus a perturbation that behaves like a vector, in the framework of PT quantum mechanics. The first example is a generalization of the recent work by…
Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for…
We present a new formulation of ab initio molecular dynamics which exploits the efficiency of plane waves in adaptive curvilinear coordinates, and thus provides an accurate treatment of first-row elements. The method is used to perform a…
Multidimensional spectroscopy unveils the interplay of nuclear and electronic dynamics, which characterizes the ultrafast dynamics of various molecular and solid-state systems. In a class of models widely used for the simulation of such…
We develop an algebraic approach for finding the eigenfunctions of a large class of few and many-body Hamiltonians, in one and higher dimensions, having linear spectra. The method presented enables one to exactly map these interacting…
We discuss the implementation of the nuclear model based on realistic nuclear spectral functions in the GENIE neutrino interaction generator. Besides improving on the Fermi gas description of the nuclear ground state, our scheme involves a…
Here we present theoretical studies of the effect of vibronic coupling on nonlinear transport characteristics (current-voltage and conductance-voltage) in molecular electronic devices. Considered device is composed of molecular quantum dot…
The purpose of this paper is to establish an explicit correspondence between various geometric structures on a vector bundle with some well-known algebraic structures such as Gerstenhaber algebras and BV-algebras. Some applications are…
A prolate $\gamma$-rigid version of the Bohr-Mottelson Hamiltonian with a quartic anharmonic oscillator potential in $\beta$ collective shape variable is used to describe the spectra for a variety of vibrational-like nuclei. Speculating the…
In this paper, we derive a general asymptotic implied volatility at the first-order for any stochastic volatility model using the heat kernel expansion on a Riemann manifold endowed with an Abelian connection. This formula is particularly…
Algebraic models are proposed for the description of the shell-like quarteting of the nucleons both on the phenomenologic and on the semimicroscopic levels. In the previous one the quartet is considered as a structureless object, while in…
A spectral mixture (SM) kernel is a flexible kernel used to model any stationary covariance function. Although it is useful in modeling data, the learning of the SM kernel is generally difficult because optimizing a large number of…
The dynamical algebra associated to a family of isospectral oscillator Hamiltonians is studied through the analysis of its representation in the basis of energy eigenstates. It is shown that this representation becomes similar to that of…
A computationally tractable version of the Bohr-Mottelson collective model is presented which makes it possible to diagonalize realistic collective models and obtain convergent results in relatively small appropriately chosen subspaces of…
In this review we demonstrate how the algebraic Bethe ansatz is used for the calculation of the energy spectra and form factors (operator matrix elements in the basis of Hamiltonian eigenstates) in exactly solvable quantum systems. As…