A comparative analysis of binding in ultralong-range Rydberg molecules

Abstract

We perform a comparative analysis of different computational approaches employed to explore the electronic structure of ultralong-range Rydberg molecules. Employing the Fermi pseudopotential approach, where the interaction is approximated by an $s$-wave bare delta function potential, one encounters a non-convergent behavior in basis set diagonalization. Nevertheless, the energy shifts within the first order perturbation theory coincide with those obtained by an alternative approach relying on Green's function calculation with the quantum defect theory. A pseudopotential that yields exactly the results obtained with the quantum defect theory, i.e. beyond first order perturbation theory, is the regularized delta function potential. The origin of the discrepancies between the different approaches is analytically motivated.

9 pages, 1 figure

References in corpus (3)

• Experimental characterization of singlet scattering channels in long-range Rydberg molecules
• A comparative analysis of binding in ultralong-range Rydberg molecules
• Ultralong-range Rydberg molecules in combined electric and magnetic fields

Cited by in corpus (4)

• A comparative analysis of binding in ultralong-range Rydberg molecules
• Dressed ion-pair states of an ultralong-range Rydberg molecule
• Generalized local frame transformation theory for ultralong-range Rydberg molecules
• Electric field-induced wave-packet dynamics and geometrical rearrangement of trilobite Rydberg molecules