The quantum dynamics of an ultracold diatomic molecule tunneling and diffusing in a one-dimensional optical lattice exhibits unusual features. While it is known that the process of quantum tunneling through potential barriers can break up a bound-state molecule into a pair of dissociated atoms, interference and reassociation produce intricate patterns in the time-evolving site-dependent probabi...

We consider the long-range states expected for complexes formed from an alkali-metal diatomic molecule in a singlet state and atom. explore structure of Hamiltonian such systems, couplings between six angular momenta that are present. patterns densities states, terms can cause Feshbach resonances when cross threshold as function magnetic field. present case study $^{40}\mathrm{K}^{87}\mathrm{Rb...

Abstract Solving the electronic structure for multi-electronic systems is a hard problem. Even small atoms and molecules, approximations have to be made in order solve numerically Schrödinger equation. Although different methods been developed take into account electron correlations, their computational cost reduces feasibility. Quantum simulation provides an alternative traditional enquiring o...

In this study, we apply the parametric Nikiforov-Uvarov method to obtain bound state solution of Schrödinger wave equation in presence Kratzer plus generalized Morse potential (KPGM). The energy eigen and corresponding normalised function were obtained closed form. resulting was used study partition other thermodynamic properties such as vibrational mean energy, specific heat capacity, free ent...

Nitric oxide (NO) functions in biology as both a critical cytotoxic agent and an essential signaling molecule. The toxicity of the diatomic gas has long been accepted; however, it was not known to be a signaling molecule until it was identified as the endothelium-derived relaxing factor (EDRF). Since this discovery, the physiological signaling pathways that are regulated by NO have been the foc...

We present a microscopic theory for dynamic friction on an intramolecular vibrational coordinate of a diatomic molecule dissolved in a simple liquid. Previous theoretical approaches to calculating dynamic friction have either used molecular hydrodynamics or employed a concept of instantaneous normal modes. Both methods have their limitations: molecular hydrodynamics is unable to correctly descr...

Fluorine molecules and ions are used as an etchant for metal surface processing. The presence of fluorine significantly influences the electrochemical behaviour on a surface, which has major relevance etching, corrosion, electro-catalysis galvanic deposition processes. Although play important role in studies remain limited unclear, especially at atomistic scale. In this work, density functional...