Abstract
This paper provides a simplified solution of the Dirac equation for the
pure rotational energy of the diatomic molecules and a discussion of the
non-relativistic limit. The last works [1-2] led to a complicated
form of the relativistic energy of the molecular rotation-vibrational
energy with high computational cost based on Schrodinger-like equation.
The present work provides a way to determine the pure rotational energy
without exclusion of the wavefunction components or using the
Schrodinger-like equation, where the selection rule ΔJ=±1, where J is
the rotational quantum number, appears as a prerequisite for solving the
equations. Based on the anti-hermitian spin-orbit operator
(L∼) that been introduced in this paper, which
excludes the derivatives, the computational cost expects to decrease.