Molecular Quamtum Mechanics

Molecular Quamtum Mechanics - Molecular Quantum Mechanics...

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1 Molecular QM Molecular Quantum Mechanics Chem 6BH Molecular QM “Traditional” Bond vs. Quantum Mechanics • Traditional picture: as before • QM: cannot proceed as before; problem is too complex –e /e repulsions between different atoms need be considered; – Nuclear repulsions need be considered; – Solution of SWE-like problem needs/depends on nuclear coordinates---approximative methods need to be developed! Start with the simplest molecule: H 2 +
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2 Molecular QM Molecular QM
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3 Molecular QM Born-Oppenheimer Approximation • One year after Schrodinger • Foundation of ALL Molecular QM Basic Idea: for a given molecule, the nuclei are so massive when compared to the electrons that one can consider the nuclei fixed in their position in space for many periods of electronic motion . – Reasonable? Yes! An electron in the n = 1 ground state has a velocity of 2.2 x 10 6 m/sec; an H 2 nuclei has a velocity of only 1 x 10 4 m/sec (heavier nuclei will be slower!).
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This test prep was uploaded on 04/08/2008 for the course CHEM 6BH taught by Professor Hoeger during the Winter '08 term at UCSD.

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Molecular Quamtum Mechanics - Molecular Quantum Mechanics...

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