It is usually convenient to deal with wavefunctions that are normalized, which means that the integral

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It is usually convenient to deal with wavefunctions that are “normalized,” which means that the integral ∫ψ2 dτ = 1. The bonding orbital in Eq. 1 is not normalized. A wavefunction ψ can be normalized by writing it as Nψ and finding the factor N which ensures that the integral over (Nψ)2 is equal to 1. Find the factor N that normalizes the bonding orbital in Eq. 1, given that the individual atomic orbitals are each normalized. Express your answer in terms of the “overlap integral” S = ∫ψA1s ψB1s dτ.V = VAIS + UBIS (1)

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Chemical Principles The Quest For Insight

ISBN: 9781464183959

7th Edition

Authors: Peter Atkins, Loretta Jones, Leroy Laverman

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