相关论文: Bound and unbound rovibrational states of the meth…

Rovibrational states of the four dimers formed by the light and the heavy isotopologues of the methane and the water molecules are computed using a potential energy surface taken from the literature. The general rovibrational energy-level…

Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an ab initio intermolecular potential energy surface reported by [M. P. Metz et al., Phys. Chem. Chem. Phys., 2019,…

We present a systematic understanding of the rotational structure of a long-range (vibrationally highly-excited) diatomic molecule. For example, we show that depending on a quantum defect, the least-bound vibrational state of a diatomic…

The rovibrational kinetic energy for an arbitrary number of rigid molecules is computed. The result has the same general form as the kinetic energy in the molecular rovibrational Hamiltonian, although certain quantities are augmented to…

Bound and resonance states of the dipole-bound anion of hydrogen cyanide HCN$^-$ are studied using a non-adiabatic pseudopotential method and the Berggren expansion technique involving bound states, decaying resonant states, and…

Widespread interest in weakly bound molecular clusters of medium size (5-50 molecules) is motivated by their complicated energy landscapes, which lead to hundreds or thousands of distinct isomers. But most studies are theoretical in nature,…

Relying on the quantization rule of Raab and Friedrich [Phys. Rev. A (2009) in press], we derive simple and accurate formulae for the number of rotational states supported by a weakly bound vibrational level of a diatomic molecular ion. We…

We study the coupled rotation-vibration levels of a hydrogen molecule in a confining potential with cylindrical symmetry. We include the coupling between rotations and translations and show how this interaction is essential to obtain the…

The calculation of the hindered roton-phonon energy levels of a hydrogen molecule in a confining potential with different symmetries is systematized for the case when the rotational angular momentum $J$ is a good quantum number. One goal of…

The main motivation for this work is the exploration of rotational-vibrational states corresponding to electronic excitations in a pre-Born-Oppenheimer quantum theory of molecules. These states are often embedded in the continuum of the…

A U(2) algebraic model is presented to describe stretching vibrations of XY$_n$ (n=2, 3, and 4) systems, where anharmonic interactions between the bond modes are considered. This model in a limit corresponds to an anharmonically coupled…

We investigate the qualitative characteristics of a test particle attracted to an irregular elongated body, modeled as a non-homogeneous straight segment with a variable linear density. By deriving the potential function in closed form, we…

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…

The amplitude of the Bohm-Aharonov oscillations of a particle moving around a ring threaded by a magnetic flux and coupled to different dissipative environments is studied. The decay of the oscillations when increasing the radius of the…

Using the method of breaking of circular symmetry and of subsequent symmetry restoration via projection techiques, we present calculations for the ground-state energies and excitation spectra of N-electron parabolic quantum dots in strong…

The nonrelativistic variational calculation of a complete set of ro-vibrational states in the H$_2^+$ molecular ion supported by the ground $1s\sigma$ adiabatic potential is presented. It includes both bound states and resonances located…

The rotating nuclei represent one of most interesting subjects for theoretical and experimental studies. They open a new dimension of nuclear landscape, namely, spin direction. Contrary to the majority of nuclear systems, their properties…

Restoration of broken circular symmetry is used to explore the characteristics of the ground states and the excitation spectra of rotating Wigner molecules (RWM's) formed in two-dimensional parabolic N-electron quantum dots. In high…

Accurate rovibrational molecular models are employed to gain insight in high-resolution into the collective effects and intermolecular processes arising when molecules in the gas phase are interacting with a resonant infrared (IR) radiation…

We consider the noncommutative algebra which is rotationally invariant. The hydrogen atom is studied in a rotationally invariant noncommutative space. We find the corrections to the energy levels of the hydrogen atom up to the second order…