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We formulate the theory for a diatomic molecule in a spatially degenerate electronic state interacting with a non-resonant laser field and investigate its rovibrational structure in the presence of the field. We report on \textit{ab initio}…
The vibrational properties of three sodosilicate glasses have been investigated in the framework of Density Functional Theory. The pure vibrational density of states has been calculated for all systems and the different vibrational modes…
We study the excitation spectrum and the correlation functions of the Z_3- chiral Potts model in the massive high-temperature phase using perturbation expansions and numerical diagonalization. We are mainly interested in results for general…
All vibrational energies of the (trans-, cis-, delocalized-) formic acid molecule are converged up to 4500 cm$^{-1}$ beyond the zero-point vibrational energy with the GENIUSH-Smolyak variational approach and using an ab initio potential…
The Hamiltonian of a N-boson system confined on a ring with zero spin and repulsive interaction is diagonalized. The excitation of a pair of p-wave-particles rotating reversely appears to be a basic mode. The fluctuation of many of these…
The interaction between vortex beam (VB) and molecule has drawn much attention in recent years, but the lack of theoretical method somehow limits its further analysis, especially when the molecular rotational degree of freedom is involved…
In the present article, we introduce a model to investigate the energy spectrum of a relativistic rotor by considering the Klein-Gordon Hamiltonian. Rotational spectral lines are a signature of homonuclear and heteronuclear systems and play…
The dynamics of the reaction H + OH $\to$ O (3P) + H2 have been studied in a series of quasi-classical trajectory (QCT) calculations and transition state theory (TST) methods using high quality 3A' and 3A'' potential energy surfaces (PESs).…
Steady, dihedrally symmetric patterns with sharp peaks may be observed on a spinning skirt, lagging behind the material flow of the fabric. These qualitative features are captured with a minimal model of traveling waves on an inextensible,…
We present a perturbative method for ab initio calculations of rotational and rovibrational effective Hamiltonians of both rigid and non-rigid molecules. Our approach is based on a curvilinear implementation of second order vibrational…
We study the mixing length concept in comparison to three-dimensional numerical calculations of convection with rotation. In a limited range, the velocity and temperature fluctuations are linearly proportional to the superadiabaticity, as…
Based on the Korringa-Kohn-Rostoker Green's function technique we present a computational scheme for calculating the electronic structure of layered systems with homogeneous spin-spiral magnetic state. From the self-consistent…
The molecular anion C$_2^-$ has been of interest in the last few years as a candidate for laser cooling due to its electronic structure and favourable branching ratios to the ground electronic and vibrational state. Molecular hydrogen has…
In traditional mechanics, harmonic oscillators can be used to measure force, acceleration, or rotation. Herein, we describe a quantum harmonic oscillator based on a penning trapped calcium ion crystal. Similar to traditional oscillators,…
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…
A particle-triaxial rigid core Hamiltonian is semi-classically treated. The coupling term corresponds to a particle rigidly coupled to the triaxial core, along a direction that does not belong to any principal plane of the inertia…
This work constructs a rovibrational state-to-state model for the $\text{O}_2$+$\text{O}_2$ system leveraging high-fidelity potential energy surfaces and quasi-classical trajectory calculations. The model is used to investigate internal…
The detection of vibrational excitations of individual molecules on surfaces by scanning tunneling spectroscopy does not obey strict selection rules but rather propensity rules. The experimental verification of these is challenging because…
This letter demonstrates the formation of vibro-polaritonic states by strong coupling gaseous nitrous oxide molecules at room temperature. The ro-vibrational features of the molecule is utilized to understand the nature of the strong…
The energy splittings between the proton $1h_{11/2}$ and $1g_{7/2}$ states in the Sb (Z=51) isotopes and the neutron $1i_{13/2}$ and $1h_{9/2}$ states in the ${N=83}$ isotones are analyzed within relativistic quasiparticle-vibration…