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I was surprised to find out that the zero-point energy (ZPE) for the ground state of $\ce{BH3}$ is a few thousand $\pu{cm-1}$, because for molecules I usually work with, it's much smaller. Does anyone know the largest recorded ZPE?

I have recently asked a similar question: What is the biggest known difference between $r_e$ and $r_0$?

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  • $\begingroup$ Liquid helium, maybe? $\endgroup$
    – Oscar Lanzi
    Commented Aug 30, 2019 at 22:56
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    $\begingroup$ My understanding is this is what keeps it liquid to absolute zero unless compressed. $\endgroup$
    – Oscar Lanzi
    Commented Aug 30, 2019 at 23:37
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    $\begingroup$ Is the question about vibrational zpe? see eg nist.gov/sites/default/files/documents/srd/jpcrd362007389p.pdf $\endgroup$
    – Buck Thorn ♦
    Commented Aug 31, 2019 at 7:45
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    $\begingroup$ @buck of interest in your reference: Mg2 (which may form a weak bond if s-p mixing occurs in its MOs), NaLi (which may be considered a lithide). $\endgroup$
    – Oscar Lanzi
    Commented Aug 31, 2019 at 12:10
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    $\begingroup$ I think this question has a trivial answer as written because the ZPE grows with the system size. A potentially more interesting question, and probably the spirit of the question, is what is the largest known zero point energy per atom? I think this may also somewhat trivially be H2 though... This is all assuming OP means vibrational ZPE which aligns with the example about BH3 I believe. $\endgroup$
    – jheindel
    Commented Sep 4, 2019 at 2:14

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