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Oskar Paulsson
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Homework Statement
"Use the simple MO method to show that the He2+ ion is bound"
Homework Equations
The hamiltonian for this system is;
H=-(ħ2/2m)∇2 -2ke2[∑3i=11/riB+∑3i=11/riB-2/RAB]
And as far as I know, the total wave function sould be;
ψ = φ1φ2φ3 ... φn , n is the number of electrons and "a reasonable behaviour" for an electron would look like this;
φ= caφa + cbφb
in the course literature they explain this as reasonable for one electron in a diatomic molecule because this one electron is "a little bit influenced by a and a little bit by b".
The a's and b's is for each atom/nuclei.
A bound state has the total wave function:
ψ = 1/√(2+2S)[φa+φb]
The Attempt at a Solution
So far the only 'attempts' I've made at solving this has been pretty much speculation - firstly I'm considering the Pauli principle. From the perspective of the Pauli principle we should have 1 electron in the 1sa orbital and 2 in the 1sb which is equivalent with 2 1sa + 1 1sb.
So the total wavefunction, I speculate to be some thing like;
ψ = ca1sa + cb1sb + 1/√(2)*(ca1sa + cb1sb)
The first term should be an electron which has a b-term that is almost 0 and the next one should be for an electron with an a-term that is almost 0. The third term is for an electron in "superposition" between 1s2a and 1s2b.
So - how to proceed? I am headed in the right direction? Does anyone have a source for some solid math on this whole thing because the course literature isn't very theoretical, it just shows some results and doesn't bother to properly explain anything.