Archived Calculus for delta function based on wave function

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The discussion revolves around calculating the integrals <ψ|δ(r12)|ψ> and <ψ|δ(r1)|ψ> for a two-electron wavefunction defined as ψ(r1, r2, r12) = exp(-Ar1 - Br2 - Cr12). The user attempts to compute these integrals but seeks clarification on potential errors in their approach. A key point highlighted is the proper substitution of variables, specifically that r12 = |r1 - r2| simplifies to r2 when r1 is set to zero. Overall, the calculations are deemed correct, and the focus is on evaluating the integrals accurately.
sandf
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Homework Statement



Two-electron Wavefunction: ψ(r1,r2,r12) = exp(-Ar1-Br2-Cr12), r12 = |r1-r2|
A, B, and C are coefficients

Calculate <ψ|δ(r12)|ψ> and <ψ|δ(r1)|ψ>

Homework Equations



NO

The Attempt at a Solution



<ψ|δ(r12)|ψ>

= ∫∫dv1dv2ψ2(r1,r2,r12)δ(r12)

=4π∫dr2ψ2(r2,r2,0)

<ψ|δ(r1)|ψ>

= ∫∫dv1dv2ψ2(r1,r2,r12)δ(r1)

=4π∫dr2ψ2(0,r2,-r2)

Could you tell me where I am wrong?

Best regards.
sandf
 
Last edited:
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sandf said:

Homework Statement



Two-electron Wavefunction: ψ(r1,r2,r12) = exp(-Ar1-Br2-Cr12), r12 = |r1-r2|
A, B, and C are coefficients

Calculate <ψ|δ(r12)|ψ> and <ψ|δ(r1)|ψ>

Homework Equations



NO

The Attempt at a Solution



<ψ|δ(r12)|ψ>

= ∫∫dv1dv2ψ2(r1,r2,r12)δ(r12)

=4π∫dr2ψ2(r2,r2,0)

<ψ|δ(r1)|ψ>

= ∫∫dv1dv2ψ2(r1,r2,r12)δ(r1)

=4π∫dr2ψ2(0,r2,-r2)

Could you tell me where I am wrong?

Best regards.
sandf
To be precise, in the last step, one should use that ##r_{12} = |r_1-r_2|= r_2 ## upon setting ##r_1=0##. But other than that, everything is good, one simply has to calculate the integrals which are easy.
 
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