Molecular electronic structure of nanodiatomic metal oxide

Mahmoud Korek, Hana Abdel Nabi, Nayla El-Kork

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The potential energies curves have been calculated for the 17 lowest quartet electronic states in the 2s+1Λ± representation of the molecule VO via CASSCF. Multireference CI calculations were performed. The harmonic frequency ωe, the internuclear distance re and the electronic energy with respect to the ground state Te have been calculated for 16 electronic states. Ten electronic states have been studied here for the first time. The comparison of the investigated values with the theoretical and experimental results available in the literature shows a very good agreement.

Original languageBritish English
Title of host publication2013 IEEE 56th International Midwest Symposium on Circuits and Systems, MWSCAS 2013
Pages333-337
Number of pages5
DOIs
StatePublished - 2013
Event2013 IEEE 56th International Midwest Symposium on Circuits and Systems, MWSCAS 2013 - Columbus, OH, United States
Duration: 4 Aug 20137 Aug 2013

Publication series

NameMidwest Symposium on Circuits and Systems
ISSN (Print)1548-3746

Conference

Conference2013 IEEE 56th International Midwest Symposium on Circuits and Systems, MWSCAS 2013
Country/TerritoryUnited States
CityColumbus, OH
Period4/08/137/08/13

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