Rotational hybridization, and control of alignment and orientation in triatomic ultralong-range Rydberg molecules

TL;DR

This study investigates the electronic and rovibrational structure of a triatomic ultralong-range Rydberg molecule, revealing how electric fields influence its potential curves, vibrational states, and molecular alignment.

Contribution

It provides new insights into the hybridization effects and control mechanisms of ultralong-range Rydberg molecules involving heteronuclear diatomic molecules.

Findings

Significant electronic hybridization observed in Rb-Rydberg states.

Electric fields can tune the potential curves and molecular orientation.

Vibrational structures are affected by external electric fields.

Abstract

We explore the electronic structure and rovibrational properties of an ultralong-range triatomic Rydberg molecule formed by a Rydberg atom and a ground state heteronuclear diatomic molecule. We focus here on interaction of Rb($27s$) Rydberg atom with KRb($N=0$) diatomic polar molecule. There's significant electronic hybridization of Rb($n=24$, $l\ge 3$) degenerate manifold. The polar diatomic molecule is allowed to rotate in the electric fields generated by the Rydberg electron and core as well as an external field. We investigate the metamorphosis of the Born-Oppenheimer potential curves, essential for the binding of the molecule, with varying electric field and analyze the resulting properties such as the vibrational structure and the alignment and orientation of the polar diatomic molecule.