- #1

gazepdapi1

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**[SOLVED] molecular orbital wavefunctions**

http://img255.imageshack.us/img255/7012/37626561fb6.jpg

starting with

Sz(total) = Sz1 + Sz2

Sz(alpha) = +(1/2)hbar(alpha)

Sz(beta) = -(1/2)hbar(beta)

I first found the determinant and then simplified

psi = 1/sqrt(2)psi(b)^2[alpha(1)beta(2) - alpha(2)beta(1)]

So,

Sz1psi = 1/sqrt(2)psi(b)^2[beta(2)(1/2)h(bar)alpha(1) + alpha(2)(1/2)h(bar)beta(1)]

Sz1psi = 1/sqrt(2)psi(b)^2[-alpha(1)(1/2)h(bar)beta(2) - beta(1)(1/2)h(bar)alpha(2)]

So...

Sztotal = Sz1 + Sz2 = 0

Can someone please verify if this is correct?

I would appreciate it.

thank you

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