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

Bulletin of Materials Science

HEWA Y ABDULLAH^1,2¹ 

[1] Computational Nanotechnology Research Laboratory, CNRL, Research Center, Salahaddin University, 44001 Erbil, Iraq^1;Research Center, Tishk International University, 44001 Erbil, Iraq^2

关键词: RKRV;    potential energy curve;    Morse potential;    Rydberg potential;    Hulbert–Hirschfelder potential;    extended- Rydberg potential.;   

DOI  :  

学科分类：材料工程

来源: Indian Academy of Sciences

【 摘 要 】

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.

【 授权许可】

CC BY