Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:1406.6549 · New Journal of Physics

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

Rosario González‐Férez, H. R. Sadeghpour, Peter Schmelcher

Published Jan 15, 2015• 23 citations
arXivHTMLPDF

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 the interaction of a Rb( ) Rydberg atom with a KRb( N = 0) diatomic polar molecule. There is significant electronic hybridization with the Rb( n = 24, ) 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.

DOI
10.1088/1367-2630/17/1/013021

Related papers

Electronic structure of ultralong-range Rydberg penta-atomic molecules with two polar diatomic molecules

Javier Aguilera-Fernández, H. R. Sadeghpour, Peter Schmelcher +1 more

We explore the electronic structure of ultralong-range penta-atomic Rydberg molecules from a merger of a Rydberg atom and two ground-state heteronuclear diatomic molecules. Our focus is on the interaction of $\mathrm{Rb}(23s$) and $\mathrm{Rb}(n=20$, $l\ensuremath{\ge}3$) Rydberg states with ground and rotationally excited KRb diatomic polar molecules. For symmetric and asymmetric configurations of the penta-atomic Rydberg molecule, we investigate the metamorphosis of the Born-Oppenheimer potential curves, essential for the binding of the molecule, with varying distance from the Rydberg core and analyze the alignment and orientation of the polar diatomic molecules.

arXiv:1710.01393•Physical Review A•Nov 28, 2017•7 citations

Ultralong-Range Rb-KRb Rydberg Molecules: Selected Aspects of Electronic Structure, Orientation and Alignment

Javier Aguilera-Fernández, H R Sadeghpour, Peter Schmelcher +1 more

We investigate the structure and features of an ultralong-range triatomic Rydberg molecule formed by a Rb Rydberg atom and a KRb diatomic molecule. In our numerical description, we perform a realistic treatment of the internal rotational motion of the diatomic molecule, and take into account the Rb( n , l ≥ 3) Rydberg degenerate manifold and the energetically closest neighboring levels with principal quantum numbers n ' > n and orbital quantum number l ≤ 2. We focus here on the adiabatic electronic potentials evolving from the Rb( n,l ≥ 3) and Rb( n = 26, l = 2) manifolds. The directional properties of the KRb diatomic molecule within the Rb-KRb triatomic Rydberg molecule are also analyzed in detail.

arXiv:1507.07972•Journal of Physics Conference Series•Sep 7, 2015•3 citations

Polyatomic ultralong-range Rydberg molecules in external fields

Javier Aguilera-Fernández, Rosario González‐Férez

We consider an ultralong-range polytonic Rydberg molecule formed by a Rydberg atom and two heteronuclear diatomic molecules. We focus here on the interaction of a Rb( n = 24, l ≥ 3) Rydberg atom with two KRb diatomic polar molecules in their rotational ground state. The polar diatomic molecules are allowed to rotate in the electric fields generated by the Rydberg electron and core. We investigate the electronic structure of this ultralong-range polytomic Rydberg molecule, and rovibrational properties of the two polar dimers as an additional external field is applied.

Journal of Physics Conference Series•Sep 7, 2015•0 citations

Recent advances in Ultralong-range Rydberg molecules

Jingxu Bai, Yuechun Jiao, Xiao-Qiang Shao +2 more

Rydberg molecule, formed by one or more Rydberg atoms, exhibits remarkable properties, including an exceptionally large spatial extent, rich rovibrational level structures, permanent electric dipole moments, and a pronounced sensitivity to external fields. Based on the underlying binding mechanisms, Rydberg molecules can be divided into three categories, the ground-Rydberg molecule that is bound via a low-energy electron-atom scattering interaction between ground atom and Rydberg electron, the Rydberg-Rydberg molecule that is bound via a long-range electrostatic interaction between Rydberg atoms, and the ion-Rydberg molecule that is bound via single- or multi-polar interactions between Rydberg atom and ion. This review focuses on recent theoretical and experimental advances in diatomic Rydberg molecules, covering their formation and binding mechanisms, potential energy curves, experimental observations, and spectroscopic properties, with the aim of providing a comprehensive overview of the current state and future prospects of this rapidly developing field.

physics.atom-phCross-listedarXiv:2603.09091•Chinese Physics B•Mar 11, 2026•0 citations

Ultralong-range triatomic Rydberg molecules in an electric field

Javier Aguilera Fernández, Peter Schmelcher, Rosario González‐Férez

Abstract We investigate the electronic structure of a triatomic Rydberg molecule formed by a Rydberg atom and two neutral ground-state atoms. Taking into account the s -wave and p -wave interactions, we perform electronic structure calculations and analyze the adiabatic electronic potentials evolving from the Rb ( n = 35 , l ≥ 3 ) Rydberg degenerate manifold. We hereby focus on three different classes of geometries of the Rydberg molecules, including symmetric, asymmetric and planar configurations. The metamorphosis of these potential energy surfaces in the presence of an external electric field is explored.

arXiv:1601.05049•Journal of Physics B Atomic Molecular and Optical Physics•May 18, 2016•17 citations

Electric field control in ultralong-range triatomic polar Rydberg molecules

Michael Mayle, Seth T. Rittenhouse, Peter Schmelcher +1 more

We theoretically explore the external electric field control of a species of ultralong-range molecules that emerge from the interaction of a ground-state polar molecule with a Rydberg atom. The external field mixes the Rydberg electronic states and, therefore, strongly alters the electric field seen by the polar diatomic molecule due to the Rydberg electron. As a consequence, the adiabatic potential energy curves responsible for the molecular binding can be tuned in such a way that an intersection with neighboring curves occurs. The latter leads to admixture of $s$-wave character in the Rydberg wave function and will substantially facilitate the experimental preparation and realization of this particular class of Rydberg molecule species.

arXiv:1201.1971•Physical Review A•May 24, 2012•23 citations
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 the interaction of a Rb( ) Rydberg atom with a KRb( N = 0) diatomic polar molecule. There is significant electronic hybridization with the Rb( n = 24, ) 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.
We explore the electronic structure of ultralong-range penta-atomic Rydberg molecules from a merger of a Rydberg atom and two ground-state heteronuclear diatomic molecules. Our focus is on the interaction of Rb(23s\mathrm{Rb}(23sRb(23s) and Rb(n=20\mathrm{Rb}(n=20Rb(n=20, $l\ensuremath{\ge}3$) Rydberg states with ground and rotationally excited KRb diatomic polar molecules. For symmetric and asymmetric configurations of the penta-atomic Rydberg molecule, we investigate the metamorphosis of the Born-Oppenheimer potential curves, essential for the binding of the molecule, with varying distance from the Rydberg core and analyze the alignment and orientation of the polar diatomic molecules.
We investigate the structure and features of an ultralong-range triatomic Rydberg molecule formed by a Rb Rydberg atom and a KRb diatomic molecule. In our numerical description, we perform a realistic treatment of the internal rotational motion of the diatomic molecule, and take into account the Rb( n , l ≥ 3) Rydberg degenerate manifold and the energetically closest neighboring levels with principal quantum numbers n ' > n and orbital quantum number l ≤ 2. We focus here on the adiabatic electronic potentials evolving from the Rb( n,l ≥ 3) and Rb( n = 26, l = 2) manifolds. The directional properties of the KRb diatomic molecule within the Rb-KRb triatomic Rydberg molecule are also analyzed in detail.
We consider an ultralong-range polytonic Rydberg molecule formed by a Rydberg atom and two heteronuclear diatomic molecules. We focus here on the interaction of a Rb( n = 24, l ≥ 3) Rydberg atom with two KRb diatomic polar molecules in their rotational ground state. The polar diatomic molecules are allowed to rotate in the electric fields generated by the Rydberg electron and core. We investigate the electronic structure of this ultralong-range polytomic Rydberg molecule, and rovibrational properties of the two polar dimers as an additional external field is applied.
Rydberg molecule, formed by one or more Rydberg atoms, exhibits remarkable properties, including an exceptionally large spatial extent, rich rovibrational level structures, permanent electric dipole moments, and a pronounced sensitivity to external fields. Based on the underlying binding mechanisms, Rydberg molecules can be divided into three categories, the ground-Rydberg molecule that is bound via a low-energy electron-atom scattering interaction between ground atom and Rydberg electron, the Rydberg-Rydberg molecule that is bound via a long-range electrostatic interaction between Rydberg atoms, and the ion-Rydberg molecule that is bound via single- or multi-polar interactions between Rydberg atom and ion. This review focuses on recent theoretical and experimental advances in diatomic Rydberg molecules, covering their formation and binding mechanisms, potential energy curves, experimental observations, and spectroscopic properties, with the aim of providing a comprehensive overview of the current state and future prospects of this rapidly developing field.
Abstract We investigate the electronic structure of a triatomic Rydberg molecule formed by a Rydberg atom and two neutral ground-state atoms. Taking into account the s -wave and p -wave interactions, we perform electronic structure calculations and analyze the adiabatic electronic potentials evolving from the Rb ( n = 35 , l ≥ 3 ) Rydberg degenerate manifold. We hereby focus on three different classes of geometries of the Rydberg molecules, including symmetric, asymmetric and planar configurations. The metamorphosis of these potential energy surfaces in the presence of an external electric field is explored.
We theoretically explore the external electric field control of a species of ultralong-range molecules that emerge from the interaction of a ground-state polar molecule with a Rydberg atom. The external field mixes the Rydberg electronic states and, therefore, strongly alters the electric field seen by the polar diatomic molecule due to the Rydberg electron. As a consequence, the adiabatic potential energy curves responsible for the molecular binding can be tuned in such a way that an intersection with neighboring curves occurs. The latter leads to admixture of sss-wave character in the Rydberg wave function and will substantially facilitate the experimental preparation and realization of this particular class of Rydberg molecule species.