Abstract
SynopsisThe effect of plasma screening on the electronic and vibrational structure of one-electron diatomic molecules is analyzed by including screened Coulomb interactions among all their particles in the solution of the Schrödinger equation. The breakdown of the well-known separability of the Schrödinger equation in confocal elliptical coordinates, the lost of long-range Coulomb interaction and the non-degeneracy in both the united atom and separated atom limits bring new elements into the analysis of the modified binding energies (electronic and vibrational), adiabatic correlation rules, molecular Stark mixings due to polarization effects, unexpected presence of molecular shape resonances and changes in non-adiabatic and radiative couplings upon the variation of the screening strength.
Highlights
Synopsis The effect of plasma screening on the electronic and vibrational structure of one-electron diatomic molecules is analyzed by including screened Coulomb interactions among all their particles in the solution of the Schrodinger equation
The breakdown of the well-known separability of the Schrodinger equation in confocal elliptical coordinates, the lost of long-range Coulomb interaction and the non-degeneracy in both the united atom and separated atom limits bring new elements into the analysis of the modified binding energies, adiabatic correlation rules, molecular Stark mixings due to polarization effects, unexpected presence of molecular shape resonances and changes in non-adiabatic and radiative couplings upon the variation of the screening strength
Very diffuse non adiabatic radial couplings among states dissociating to the same non-degenerate atomic shell in the separated atom (SA) limit show Stark mixing as R decreases due to polarization effects. Both radial and radiative dipolar couplings are computed and compared for λ ∈ [0, 1.5] to show that some couplings vanish at R → ∞ when λ > 0. These effects indicate that screened one-electron molecules partially share properties pertaining more to the case of unscreened many-electron diatomic molecules dissociating into neutrals than to the unscreened one-electron molecule
Summary
Molecular structure of one-electron diatomic molecules subject to plasma screening and its effect on the dynamics. Synopsis The effect of plasma screening on the electronic and vibrational structure of one-electron diatomic molecules is analyzed by including screened Coulomb interactions among all their particles in the solution of the Schrodinger equation. The breakdown of the well-known separability of the Schrodinger equation in confocal elliptical coordinates, the lost of long-range Coulomb interaction and the non-degeneracy in both the united atom and separated atom limits bring new elements into the analysis of the modified binding energies (electronic and vibrational), adiabatic correlation rules, molecular Stark mixings due to polarization effects, unexpected presence of molecular shape resonances and changes in non-adiabatic and radiative couplings upon the variation of the screening strength.
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