3890ps10_10 - Physical Chemistry I Chem 3890 Fall 2010...

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Chem 3890 Physical Chemistry I Fall 2010 Chemistry 3890 Problem Set 10 Fall 2010 Due: in class, Monday, November 29 Last revised: November 19, 2010 Additions/corrections: Problem 1 Consider the states of the H atom (no spin) with principal QN n = 20. 1. Use Mathematica (see www.chem.cornell.edu/gse1/3890_hydogenic_wfs.nb ) to calculate a Table of expectation values a r 2 A nl for n = 20, l = 0 , 1 ,... ,n - 1. The quantity r a r 2 A nl is a measure of the eFective size of the atom in the diFerent l states. How does r a r 2 A nl depend on l (qualitatively)? 2. Make plots of the radial probability distribution P n,l ( r ) vs r for l = 0 and l = n - 1 = 19 (2 plots). Be sure to take the range of r large enough to see the full structure of P . (Measure r in atomic units [Bohr radii, a 0 ].) We now proceed to estimate the expectation values for the smallest ( l = 0) and largest ( l = n - 1) values of l , respectively.
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3890ps10_10 - Physical Chemistry I Chem 3890 Fall 2010...

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