Potential Energy Curves (PEC) for poly-atomic molecules

[Sagar Vadhel]

Hello everyone

We have tried PEC calculations on some polyatomic molecules using MOLPRO/CASSCF. Each PECs contains 3 lines for neutral ground, anionic ground, and anionic excited state.

By just looking at the PECs, we have noticed some peaks in the anionic curve in all molecules, around after Req (equilibrium distance of that bond).
So, my confusion is that, why and what causes these peaks and what is the significance of peaks in PEC curves?
For reference, I'm attaching some of the PECs.

Thanks in advance

[Sagar Vadhel]

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[Sagar Vadhel]

any answer?