I think that for H2+ the integrand for the kinetic energy expectation value is:
ψm(→r)(−ℏ22m)▽2ψm(→r)
where,
ψm(→r)=cm(b)√2(ψ1s(r)+ψ1s(→r−bˆx))
where b is the distance between the two protons.
Note that cm(b) is a function of b, is close to 1 for most values of b, and is unit-less. It has to be evaluated by a normalization integral for each value of b.
Also, one can turn hbar^2/m into a simple fixed number, which is easier to use in numerical calculation, using:
ℏ2/m=.076eVnm2
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