A new generalized potential energy function is suggested for dlatomic moleculer The Dunham. Simons-Parr-Ftilan, Thakkar and Ogilvie potenrials are shown to be particular cases of the generalized potential energy funcrion. II is also shown that the functron suggested may reproduce the path of the pot
An empirical potential function of diatomic molecules
β Scribed by Fayyazuddin; M. Rafi
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 352 KB
- Volume
- 205
- Category
- Article
- ISSN
- 0375-9601
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π SIMILAR VOLUMES
A simple analytical semi-empirical potential for the interaction between a diatomic molecule and a spherical fullerene is proposed. The potential assumes a spherical continuum representation for the fullerene cage. Equilibrium positions and vibrational frequencies calculated with our expression are
Two variants of the double exponential potential function and their Ε½ . virial modifications are proposed and tested. The first in reduced variables is F t s ym t Γw Ε½ 2 . y1r2 x w Ε½ 2 . 1r2 x w Ε½ 2 . y1r2 x wΕ½ 2 . 1r2 x4 e m m y1 y1 exp y m y 1 t y m m y 1 q 1 exp m y 1 t Ε½ . . where t s s s R y R