## Files in this item

FilesDescriptionFormat

application/vnd.openxmlformats-officedocument.presentationml.presentation

Correlations be ... om and separate atoms.pptx (2MB)
PresentationMicrosoft PowerPoint 2007

application/pdf

912.pdf (15kB)
AbstractPDF

## Description

 Title: SYSTEMATICS OF RYDBERG SERIES OF DIATOMIC MOLECULES AND CORRELATION DIAGRAMS Author(s): Lee, Chun-Woo Subject(s): Rydberg Atoms and Molecules Abstract: Rydberg states are studied for H$_{2}$, Li$_{2}$, HeH, LiH and BeH using the multi-reference configuration interaction (MRCI) method. The systematics and regularities of the physical properties such as potential energies curves (PECs), quantum defect curves, permanent dipole moment and transition dipole moment curves of the Rydberg series are studied. They are explained using united atom perturbation theory by Bingel and Byers-Brown, Fermi model, Stark theory, and Mulliken's theory. Interesting mirror relationships of the dipole moments are observed between $l$-mixed Rydberg series, indicating that the members of the $l$-mixed Rydberg series have dipole moments with opposite directions, which are related to the reversal of the polarity of a dipole moment at the avoided crossing points. The assignment of highly excited states is difficult because of the usual absence of the knowledge on the behaviors of potential energy curves at small internuclear separation whereby the correlation between the united atom limit and separated atoms limit cannot be given. All electron MRCI calculations of PECs are performed to obtain the correlation diagrams between Rydberg orbitals at the united-atom and separated atoms limits. Issue Date: 23-Jun-15 Publisher: International Symposium on Molecular Spectroscopy Citation Info: ACS Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/79471 Date Available in IDEALS: 2016-01-05
﻿