N. K. Dulaev, I. I. Tupitsyn, D. P. Usov, A. M. Ryzhkov, V. M. Shabaev
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Abstract
A non-empirical relativistic calculation of the potential energy curve of the ground X1Σ+ state of the carbon monoxide (CO) molecule in the internuclear distances range RAB ∈ [0.5, 30.0] a.u. is performed. The calculation is carried out by the multireference configuration-interaction method in the basis of the Dirac–Fock–Sturm orbitals. For the entire specified range of distances, multi-electron quantum-electrodynamic corrections to the CO energy are calculated by the method of the model Lamb shift operator. The contributions of the quantum electrodynamic corrections to the value of the equilibrium internuclear distance \(R_{{AB}}^{e}\), the dissociation energy De and the vibrational constant ωe of the CO molecule are obtained.
期刊介绍：
Optics and Spectroscopy (Optika i spektroskopiya), founded in 1956, presents original and review papers in various fields of modern optics and spectroscopy in the entire wavelength range from radio waves to X-rays. Topics covered include problems of theoretical and experimental spectroscopy of atoms, molecules, and condensed state, lasers and the interaction of laser radiation with matter, physical and geometrical optics, holography, and physical principles of optical instrument making.
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