Adiabatic potential energy curves of long-range Rydberg molecules: Two-electron R-matrix approach

Abstract

We introduce a computational method developed for study of long-range molecular Rydberg states of such systems that can be approximated by two electrons in a model potential of the atomic cores. Only diatomic molecules are considered. The method is based on a two-electron \rmath approach inside a sphere centered on one of the atoms. The wave function is then connected to a Coulomb region outside the sphere via multichannel version of the Coulomb Green's function. This approach is put into a test by its application to a study of Rydberg states of the hydrogen molecule for internuclear distances $R$ from 20 to 400 bohrs and energies corresponding to $n$ from 3 to 22. The results are compared with previous quantum chemical calculations (lower quantum numbers $n$) and computations based on contact potential models (higher quantum numbers $n$).

References in corpus (2)

• Experimental verification of minima in excited long-range Rydberg states of Rb_2
• Quantum-classical model for the formation of Rydberg molecules

Cited by in corpus (13)

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• Long-range Rydberg molecule Rb${}_2$: Two-electron \textit{R}-matrix calculations at intermediate internuclear distances