By using the classic Lennard-Jones potential as reference, inverse canonical transformations allow for the accurate generation of post Born−Oppenheimer potentials in the ground and excited electronic states for H₂, He dimer, LiH, CH^±, Mg₂, HF, and OH radical. The two parameters in the referenced Lennard-Jones potential are set to one. The studied potentials include corrections for adiabatic, nonadiabatic, relativistic, and quantum electrodynamics effects. The relative error in the generated potentials are less than 0.01. Application of canonical approaches with the algebraic Lennard-Jones potential accurately reproduces the best post Born−Oppenheimer potential curves of pairwise interatomic interactions.

通过使用经典的Lennard-Jones电势作为参考，逆典范变换允许在H ₂，He二聚体，LiH，CH ^±，Mg ₂，HF和H _2的基态和激发电子态中精确生成后Born-Oppenheimer势。OH基。引用的Lennard-Jones势中的两个参数设置为1。研究的潜力包括对绝热，非绝热，相对论和量子电动力学效应的校正。产生的电势的相对误差小于0.01。具有代数Lennard-Jones势的经典方法的应用准确地再现了成对原子间相互作用的最佳后Born-Oppenheimer势曲线。