A comparative study of potential energy curves with RKRV curves for the ground states of I2, F2 and CO molecules

The latest molecular constant potential energy curves used for the electronic ground states of I2, F2 and CO molecules are constructed by the Rydberg–Klein–Rees–Vanderslice (RKRV) method. The Morse, Rydberg, Hulbert–Hirschfelder and extended Rydberg potential functions compare each other and have go...

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Bibliographic Details
Published inBulletin of materials science Vol. 42; no. 4; p. 142
Main Author Abdullah, Hewa Y
Format Journal Article
LanguageEnglish
Published Bangalore, India Indian Academy of Sciences 01.08.2019
Springer Nature B.V
Subjects
Chemistry and Materials Science
Comparative studies
Deviation
Energy
Engineering
Ground state
Materials Science
Potential energy
potential energy curve
Rydberg potential
extended-Rydberg potential
RKRV
Morse potential
Hulbert–Hirschfelder potential
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Summary:The latest molecular constant potential energy curves used for the electronic ground states of I2, F2 and CO molecules are constructed by the Rydberg–Klein–Rees–Vanderslice (RKRV) method. The Morse, Rydberg, Hulbert–Hirschfelder and extended Rydberg potential functions compare each other and have good agreement with RKRV curves for these molecules. The percentage deviations from RKRV curves are drawn at the same abscissa scale. These curves show that the extended Rydberg potential energy curve deviation is < 0.5 - 2 % error to dissociation limit.
ISSN:0250-4707
0973-7669
DOI:10.1007/s12034-019-1824-2