The adiabatic potential energy curves of ${\mathrm{Rb}}_{2}$ in the long-range Rydberg electronic states are calculated using the two-electron $R$ -matrix method [M. Tarana and R. \ifmmode \check{C}\else \v{C}\fi{}ur\'{\i}k, Phys. Rev. A 95, 042515 (2017)] for the intermediate internuclear separations between 37 and 200 a.u. The results are compared with the zero-range models to find a region of the internuclear distances where Fermi's pseudopotential approach provides accurate energies. A finite-range potential model of the atomic perturber is used to calculate the wave functions of the Rydberg electron and their features specific for the studied range of internuclear distances are identified.The adiabatic potential energy curves of ${\mathrm{Rb}}_{2}$ in the long-range Rydberg electronic states are calculated using the two-electron $R$-matrix method [M. Tarana and R. \ifmmode \check{C}\else \v{C}\fi{}ur\'{\i}k, Phys. Rev. A 95, 042515 (2017)] for the intermediate internuclear separations between 37 and 200 a.u. The results are compared with the zero-range models to find a region of the internuclear distances where Fermi's pseudopotential approach provides accurate energies. A finite-range potential model of the atomic perturber is used to calculate the wave functions of the Rydberg electron and their features specific for the studied range of internuclear distances are identified.

arXiv:2003.13495Physical Review ADec 1, 20203 citations

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

Michal Tarana, Roman Čurı́k

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 $R$ -matrix approach inside a sphere centered on one of the atoms. The wave function is then connected to a Coulomb region outside the sphere via a 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 $n$ ).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 $R$-matrix approach inside a sphere centered on one of the atoms. The wave function is then connected to a Coulomb region outside the sphere via a 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 $n$).

arXiv:1510.08773Physical Review AJan 22, 201615 citations

Angular-momentum couplings in long-range Rydberg molecules

David Alexander Anderson, Stephanie Miller, Georg A. Raithel

Bulletin of the American Physical SocietyJun 11, 20150 citations

Long-range Rydberg-Rydberg interactions and molecular resonances

Jovica Stanojevic, Robin Côté, D. Tong +3 more

The European Physical Journal DJun 20, 200639 citations

Potentials of long-range cesium Rydberg molecule

Xiaoxuan Han, Jianming Zhao, Changyong Li +1 more

Rydberg atom, with a large principal quantum number n, has big size, long lifetime, strong long-range interactions, and so on. These properties make Rydberg atoms potential candidate of quantum gate and single-photon source. Rydberg electron can interact with nearby ground-state atom, which is polarized by the Rydberg electron and is bound to the orbit of Rydberg electrons forming Rydberg molecule. As the kinetic energy of the Rydberg electron is very low, only the lowest partial waves will contribute to the molecular potential.#br#In this paper, the low electron-atom scattering with the semi-classical approximation is introduced, and the pseudopotential of interaction between Rydberg electron and ground-state atom is used to describe the long-range Rydberg molecular potential. Molecular potential curves for cesium (nS, n=30-60) are plotted according to the results of numerical computation, from which the outermost potential depth De and the equilibrium distance r0 of long-range cesium Rydberg molecule are deduced. Potential curves of cesium Rydberg molecules are consistent with the distribution curves in radial probability densities of cesium Rydberg electrons. Dependences of De and r0 on the principal quantum number n are investigated, this has an important role for the experimental measurements. The size of a Rydberg molecule depends on the equilibrium distance r0 and is proportional to the square of effective principal quantum number (n-δ )2. The calculated outermost potential depth De of Rydberg molecule becomes smaller with the increase of principal quantum number n. Rydberg molecule is very sensitive to the external field and can be used to measure and monitor weak signals.Rydberg atom, with a large principal quantum number n, has big size, long lifetime, strong long-range interactions, and so on. These properties make Rydberg atoms potential candidate of quantum gate and single-photon source. Rydberg electron can interact with nearby ground-state atom, which is polarized by the Rydberg electron and is bound to the orbit of Rydberg electrons forming Rydberg molecule. As the kinetic energy of the Rydberg electron is very low, only the lowest partial waves will contribute to the molecular potential.#br#In this paper, the low electron-atom scattering with the semi-classical approximation is introduced, and the pseudopotential of interaction between Rydberg electron and ground-state atom is used to describe the long-range Rydberg molecular potential. Molecular potential curves for cesium (nS, n=30-60) are plotted according to the results of numerical computation, from which the outermost potential depth De and the equilibrium distance r0 of long-range cesium Rydberg molecule are deduced. Potential curves of cesium Rydberg molecules are consistent with the distribution curves in radial probability densities of cesium Rydberg electrons. Dependences of De and r0 on the principal quantum number n are investigated, this has an important role for the experimental measurements. The size of a Rydberg molecule depends on the equilibrium distance r0 and is proportional to the square of effective principal quantum number (n-δ )2. The calculated outermost potential depth De of Rydberg molecule becomes smaller with the increase of principal quantum number n. Rydberg molecule is very sensitive to the external field and can be used to measure and monitor weak signals.

Acta Physica SinicaJan 1, 20151 citation

The adiabatic potential energy curves of

{\mathrm{Rb}}_{2}

in the long-range Rydberg electronic states are calculated using the two-electron

R

-matrix method [M. Tarana and R. \ifmmode \check{C}\else \v{C}\fi{}ur\'{\i}k, Phys. Rev. A 95, 042515 (2017)] for the intermediate internuclear separations between 37 and 200 a.u. The results are compared with the zero-range models to find a region of the internuclear distances where Fermi's pseudopotential approach provides accurate energies. A finite-range potential model of the atomic perturber is used to calculate the wave functions of the Rydberg electron and their features specific for the studied range of internuclear distances are identified.

R

-matrix approach inside a sphere centered on one of the atoms. The wave function is then connected to a Coulomb region outside the sphere via a 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