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Title: Generalized local frame-transformation theory for ultralong-range Rydberg molecules

Abstract

A detailed theoretical framework for highly excited Rydberg molecules is developed based on the generalized local frame transformation. Our approach avoids the use of pseudopotentials and yields analytical expressions for the body-frame reaction matrix. The latter is used to obtain the molecular potential energy curves, but equally it can be employed for photodissociation, photoionization, and other processes. To illustrate the reliability and accuracy of our treatment we consider the Rb*-Rb Rydberg molecule and compare our treatment with state-of-the-art alternative approaches. As a second application, the present formalism is used to reanalyze the vibrational spectra of Sr*-Sr molecules, providing additional physical insight into their properties and a comparison of our results with corresponding measurements.

Authors:
ORCiD logo; ORCiD logo; ORCiD logo;
Publication Date:
Research Org.:
Purdue Univ., West Lafayette, IN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1659364
Alternate Identifier(s):
OSTI ID: 1670699
Grant/Contract Number:  
SC0012193
Resource Type:
Published Article
Journal Name:
Physical Review A
Additional Journal Information:
Journal Name: Physical Review A Journal Volume: 102 Journal Issue: 3; Journal ID: ISSN 2469-9926
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; Chemical binding; Interatomic & molecular potentials; Long-range interactions; Exotic atoms & molecules; Rydberg atoms & molecules

Citation Formats

Giannakeas, P., Eiles, Matthew T., Robicheaux, F., and Rost, Jan M. Generalized local frame-transformation theory for ultralong-range Rydberg molecules. United States: N. p., 2020. Web. https://doi.org/10.1103/PhysRevA.102.033315.
Giannakeas, P., Eiles, Matthew T., Robicheaux, F., & Rost, Jan M. Generalized local frame-transformation theory for ultralong-range Rydberg molecules. United States. https://doi.org/10.1103/PhysRevA.102.033315
Giannakeas, P., Eiles, Matthew T., Robicheaux, F., and Rost, Jan M. Thu . "Generalized local frame-transformation theory for ultralong-range Rydberg molecules". United States. https://doi.org/10.1103/PhysRevA.102.033315.
@article{osti_1659364,
title = {Generalized local frame-transformation theory for ultralong-range Rydberg molecules},
author = {Giannakeas, P. and Eiles, Matthew T. and Robicheaux, F. and Rost, Jan M.},
abstractNote = {A detailed theoretical framework for highly excited Rydberg molecules is developed based on the generalized local frame transformation. Our approach avoids the use of pseudopotentials and yields analytical expressions for the body-frame reaction matrix. The latter is used to obtain the molecular potential energy curves, but equally it can be employed for photodissociation, photoionization, and other processes. To illustrate the reliability and accuracy of our treatment we consider the Rb*-Rb Rydberg molecule and compare our treatment with state-of-the-art alternative approaches. As a second application, the present formalism is used to reanalyze the vibrational spectra of Sr*-Sr molecules, providing additional physical insight into their properties and a comparison of our results with corresponding measurements.},
doi = {10.1103/PhysRevA.102.033315},
journal = {Physical Review A},
number = 3,
volume = 102,
place = {United States},
year = {2020},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/PhysRevA.102.033315

Figures / Tables:

FIG. 1 FIG. 1: Schematic of the few-body system of a highly excited Rydberg atom (A+-e) in the presence of a neutral perturber (B) placed at an internuclear distance R = $R\hat{z}$. The Rydberg electron e at distances r away from the positively charged core atom A+ experiences a Coulomb potential indicatedmore » by the gray-shaded area. The blue-shaded area depicts the range rA of the residual core potential, i.e., ush(r). VB(|rR|) refers to the polarization potential between the Rydberg electron and the neutral perturber B.« less

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.