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Improved Pöschl–Teller potential energy model for diatomic molecules
Author(s) -
Jia ChunSheng,
Zhang LieHui,
Peng XiaoLong
Publication year - 2017
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25383
Subject(s) - diatomic molecule , morse potential , potential energy , dissociation (chemistry) , bond dissociation energy , atomic physics , rydberg formula , molecule , morse code , range (aeronautics) , physics , chemistry , materials science , quantum mechanics , ion , computer science , telecommunications , composite material , ionization
By employing the dissociation energy and the equilibrium internuclear distance for a diatomic molecule as explicit parameters, we construct an improved Pöschl–Teller potential energy model. We analyze the average absolute deviations of the improved Pöschl–Teller and Morse potentials from the experimental Rydberg–Klein–Rees (RKR) potentials for six diatomic molecules. It is found that the improved Pöschl–Teller potential is more accurate than the Morse potential in fitting experimental RKR potential curves over a large range of internuclear distances for six molecules examined.