What is the theoretical quantum ground state energy of helium hydride positive ion?

I am speaking of the usual assumptions such as the approximate modeling of the two nuclei here - one being a proton, the other being 2 protons plus 2 neutrons - as two infinitely massive particles alone in the universe at some equilibrium distance, in the non-relativistic simple case alone considering no spin dependent terms etc.

So actually only the charge of the nuclei is relevant in this approximation unless the vibrational energy - perhaps modeled in first approximation as a simple harmonic oscillator with some force constant - is also taken into account - which would be the positive 'zero' point value of harmonic oscillator.

I would assume that it would have to be lower (that is greater bonding magnitude or absolute value of the negative energy) than that of the neutral helium atom, but I am not sure. But one place on internet gives $\pu{3600 cm^-1}$ as a fundamental frequency (but of what?) which - if I am not mistaken comes - to $\pu{1.64E-2}$ Hartrees or atomic units - so that cannot be correct or the value i am looking for as the helium atom is about -2.904 Hartrees or atomic units. I suppose it would be almost impossible to practically devise any experiment to arrive at any experimental value? Though, if so, what is that value?


You could get a quick estimate of the ground state energy with paper and pencil by using Heitler-London method, since all you need to do is change the charge on the second nucleus.

I would assume the vibrational energy absorption energy quoted referred to the He-H bond vibration.

| improve this answer | |

Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Not the answer you're looking for? Browse other questions tagged or ask your own question.