相关论文: Calculation of DC Stark Resonances for the Ammonia…
An exterior complex scaling technique is applied to compute Stark resonance parameters for two molecular orbitals ($1b_{1}$ and $1b_{2}$) represented in the field-free limit in a single-center expansion. For electric DC field configurations…
A partial-wave method is developed to deal with small molecules dominated by a central atom as an extension of earlier single-center methods. In particular, a model potential for the water molecule is expanded over a basis of spherical…
The Stark resonance parameters for the $3a_{1}$ molecular orbital of H$_{2}$O are computed by solving a system of partial differential equations in spherical polar coordinates. The starting point of the calculation is the quantum potential…
We extend a previously developed model for the Stark resonances of the water molecule. The method employs a partial-wave expansion of the single-particle orbitals using spherical harmonics. To find the resonance positions and decay rates,…
A simple 1-D relativistic model for a diatomic molecule with a double point interaction potential is solved exactly in a constant electric field. The Weyl-Titchmarsh-Kodaira method is used to evaluate the spectral density function, allowing…
A new mechanism is described, analyzed and visualized, for the dissipation of suprathermal rotation energy of molecules in magnetic fields, a necessary condition for their alignment. It relies upon the Lorentz force perturbing the motion of…
The pedagogic two stste system of the ammonia molecule is used to illustrate the phenomenon of environment induced molecular localization in pyramidal molecules. A semiclassical model is used to describe a gas of pyramidal molecules…
The inversion potential for the ammonia molecule is approximated by a quartic function. The Hamiltonian thereby contains only even powers of p and x and a representation in terms of ladder operators a and a^+ is suggested. The frequency…
Potential resonances are usually investigated either directly in the complex energy plane or indirectly in the complex angular momentum plane. Another formulation complementing these two is presented in this work. It is an indirect method…
An inhomogeneous electric field is used to study the deflection of a supersonic beam of water molecules. The deflection profiles show strong broadening accompanied by a small net displacement towards higher electric fields. The profiles are…
Resonance plays critical roles in the formation of many physical phenomena, and many techniques have been developed for the exploration of resonance. In a recent letter [Phys. Rev. Lett. 117, 062502 (2016)], we proposed a new method for…
We calculate the eigenstates of a diatomic molecule in a range of model mean-field potentials, and evaluate the evolution of their associated Raman spectra with field strength. We demonstrate that dramatic changes in the appearance of the…
The complex scaling method is applied to study the resonances of a Dirac particle in a Morse potential. The applicability of the method is demonstrated with the results compared with the available data. It is shown that the present…
The spectroscopy of light, strange baryons have been an important aspect with still unknown resonances and intrinsic baryonic properties. The present document is focused on the $\Delta$ baryons unlike earlier work, here all the four isospin…
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into singlet pairs, combined with a real space correlation factor. The…
We examine the potential-energy curves and polarization of the dipole moments of two static polar molecules under the influence of an external dc electric field and their anisotropic dipole-dipole interaction. We model the molecules as…
Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered $\delta$ phase to the orientationally disordered $\gamma$ phase. An effective pair potential is used to model the interaction…
We calculate the $c\bar{b}$ mass spectrum, the splitting values and some other properties in the framework of the semi-relativistic equation by applying the shifted large-N expansion technique. We use seven different central potentials…
A new approach to simulating rotational cooling using a direct simulation Monte Carlo (DSMC) method is described and applied to the rotational cooling of ammonia seeded into a helium supersonic jet. The method makes use of ab initio…
Ammonia is one of the most widely observed molecules in space, and many observations are able to resolve the hyperfine structure due to the electric quadrupole moment of the nitrogen nucleus. The observed spectra often display anomalies in…