Recently a number of diatomic and polyatomics molecules has been identified as a prospective systems for Doppler cooling. Polyatomic molecules with heavy nuclei present great interest for search for new physics outside of Standard Model and a large variety of other applications including cold chemistry, quantum informatics etc. Herein we propose radium monohydroxide molecule (RaOH) which is on ...

We present the Multichannel Quantum Defect Theory in its operatonal form and its application to the problem of Rydberg states of a diatomic molecule in extemal electnc fields. The theoretical analysis consists m the description of the close connection between the resolvent operator and the Density-Of-State matrix which defines the whole spectrum In the particular case of the discrete spectrum i...

The rovibrational partition functions of diatomic molecules are calculated using a classical framework plus quantum, semiclassical, and semiempirical corrections. The most popular methods to calculate such corrections are briefly reviewed and applied to the benchmark H2 molecule. A novel hybrid scheme is proposed and applied to H2, HCl, and ArO. Each method is analyzed with a view to find an ec...

A main purpose of this Letter is to show how to employ the inverse Born–Oppenheimer approximation as a basis set to study zero kinetic energy (ZEKE) spectroscopy and the autoionization dynamics of the ZEKE states. The calculations of channel couplings, quantum defects, intensity borrowing, vibrational and rotational autotionizations will be demonstrated by using a homonuclear diatomic molecule ...

In the present work an attempt has been made to study the dynamics of a diatomic molecule N2 water. The proposed model consists of Langevin stochastic differential equation whose solution is obtained through Euler’s method. The proposed work has been concluded by studying the behavior of statistical parameters like variance in position, variance in velocity and covariance between position and v...

Molecular dynamics simulations were carried out to investigate the reorientational motion of a rigid (fixed bond length), asymmetric diatomic molecule in the liquid and glassy states. In the latter the molecule reorients via large-angle jumps, which we identify with the Johari-Goldstein (JG) dynamics. This relaxation process has a broad distribution of relaxation times, and at least deeply in t...