(adsbygoogle = window.adsbygoogle || []).push({}); 1. The problem statement, all variables and given/known data

So the question is I have to use some trial function of the form [tex]\sum c_if_i[/tex] to approximate the energy of hydrogen atom where [tex]f_i=e^{-ar}[/tex] for some number a (positive real number). Note that r is in atomic unit.

2. Relevant equations

Because r is in atomic unit, I think I should use the Hamiltonian in atomic unit, that is

[tex]H = -\frac{1}{2}\nabla^2 + \frac{1}{r}[/tex]

or should I use the spherical Hamiltonian?

I try to compute [tex]H_{ij} = \int_0^\infty f_iHf_j[/tex] but there will be the term [tex]\int_0^\infty f_1\frac{1}{r}f_2dr[/tex] which cannot be integrated (not converged). So what's wrong with the way I approach the problem?

Thank you,

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# Hamiltonian in atomic units

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