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pchemII.lecture31.Bonding_is_QM - Page 1 of 10 31 Bonding...

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Page 1 of 10 Scott Kirkby Last revised: 13 April 2008 31. Bonding is a Quantum Mechanical Phenomenon Suggested Reading: Chapters 9-4 to 9-6 of the text. Introduction In the previous lecture we set the stage for looking at molecules. We left off looking at overlap integrals for linear combinations of atomic orbitals. Now lets look at (31-1) Using (31-2) ψ + H ˆ ψ + r d 1 s A 1 s B + ( ) H ˆ 1 s A 1 s B + ( ) r d = 1 s A 1 s B + ( ) 1 2 -- 2 1 r A ----- 1 r B ----- 1 R --- + 1 s A 1 s B + ( ) r d = 1 s A 1 s B + ( ) 1 2 -- 2 1 r A ----- 1 r B ----- 1 R --- + 1 s A r d = 1 s A 1 s B + ( ) 1 2 -- 2 1 r A ----- 1 r B ----- 1 R --- + 1 s B r d + H ˆ j 1 2 -- 2 1 r J ---- = H ˆ j 1 s J E 1 s 1 s J =
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