Abstract:
A method for constructing analytical diatomic molecular potential energy functions is proposed.The potential energy function is examined with 36 diatomic molecules or ions-homonuclear ground-state of neutral diatomic molecules Li
2-X
1∑
g+,Na
2-X
1∑
g+,heternuclear ground-state of charged diatomic molecular ion (BC)
--X
3∏,heternuclear excitation-state neutral diatomic molecules PbS-A
1∑
+,BaO-A
1∑,heternuclear excitation-state of charged diatomic molecular ion (CS)
+-A
2∏,homonuclear excitation-state of neutral diatomic molecule K
2-B
1∏
u,homonuclear excitation-state for charged diatomic molecule N
2+-B
2∑
u+ etc.Vibrational energy levels of molecules calculated are consistent with RKR data (Rydberg-Klein-Rees) and experimental data in high-precision.It shows that the potential energy function is superior to Murrell-Sorbie potential in calculating vibrational energy levels of molecules.