05_580ln_fa08

05_580ln_fa08 - MIT OpenCourseWare http/ocw.mit.edu 5.80...

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MIT OpenCourseWare http://ocw.mit.edu 5.80 Small-Molecule Spectroscopy and Dynamics Fall 2008 For information about citing these materials or our Terms of Use, visit: http://ocw.mit.edu/terms .
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Fall, 2008 Page 1 Lecture #5: Alkali and Many e Atomic Spectra What am I doing spending all of this time on ATOMS? One of the goals of spectroscopy is to recover what is unique about the system by using what is universal and general as a road map. Form and flavor of electronic structure models. * patterns for assignment of spectra * predictions of unobserved states and properties * ways to estimate size and shape of orbitals * quantitative reconstruction of V (r) from spectrum * zero-order pictures for describing dynamics. 0 ( ) time evolving non-eigenstate o Ψ ( Q,t ) = a i (t) ψ i Q expressed in terms of basis states, ψ i i ψ i ↔∑α i ψ i 0 eigenstate expressed in terms of basis states, ψ i o Construct interesting Ψ (Q, 0) and predict its time evolution. How do we know n, , and Z for 1e spectrum? pattern * convergence Z 2 /n 2 * fine structure Z 4 /[n 3 ( + 1)( + 1/2) ] * hyperfine? * selection rules for electric dipole transition redundancy * exactly repeated intervals in two series Alkalis SCF mathematical definition of 1e orbitals Scaling generalized interpretive Z Z n eff intuitive n n* = n −δ diagnostic systematic probe core, valence, Rydberg core-penetrating, non-penetrating Ontogeny recapitulates phylogeny [Mulliken] What happens when you throw an e at a closed shell ion? - intuition
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This note was uploaded on 11/28/2011 for the course CHEM 5.74 taught by Professor Robertfield during the Spring '04 term at MIT.

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05_580ln_fa08 - MIT OpenCourseWare http/ocw.mit.edu 5.80...

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