Accurate ro-vibrational spectroscopy of diatomic molecules in a Morse oscillator potential

Rotational Spectroscopy of Diatomic Molecules

Electronic Spectroscopy of Diatomic Molecules

Experimental Vibrational Zero-Point Energies: Diatomic Molecules

Vibrational zero-point energies ZPEs , as determined from published spectroscopic constants, are derived for 85 diatomic molecules. Standard uncertainties are also provided, including estimated contributions from bias as well as the statistical uncertainties propagated from those reported in the spectroscopy literature. This compilation will be helpful for validating theoretical procedures for ...

Configuration localized wave functions: General formalism and applications to vibrational spectroscopy of diatomic molecules

A general formalism for constructing configuration localized states for one-dimensional potentials is presented. It allows the evaluation of accurate approximations to the vibrational matrix elements of the momentum operator and of arbitrary functions of the coordinate. The formalism is applied to three potentials of interest in molecular physics: the harmonic oscillator, Morse, and Pöschl-Tell...

Approximate Ro-Vibrational Spectrum of the Modified Rosen–Morse Molecular Potential Using the Nikiforov–Uvarov Method

In many fields of physics and chemistry, explicit analytical solutions of the fundamental dynamical equations are much valuable for a general understanding of phenomena, e. g. the role played by physical parameters. Two typical examples in quantum mechanics are the exact solutions of the Schrödinger equation (SE) for a hydrogen atom (Coulombic) and for a harmonic oscillator [1 – 3]. The Mie-typ...