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SUMMARY:Crystallography of NLO materials: battle of the charge-density mod
 els - Daniel D. Hickstein\, SMF Group\, Cavendish Laboratory
DTSTART:20080522T153000Z
DTEND:20080522T160000Z
UID:TALK11249@talks.cam.ac.uk
CONTACT:Stephen Walley
DESCRIPTION:Nonlinear optical (NLO) materials\, such as frequency doubling
  and sum harmonic generation materials\, have proved terrifically useful. 
  However\, we do not yet understand how they work or how to design better 
 ones.  We are using single crystal x-ray diffraction to generate accurate 
 electron density maps of organic NLO materials in order to explain their s
 trange behavior.  My work compares the traditional method of generating th
 e electron density to a new method: fitting a full ab initio wavefunction 
 to experimental data.  
LOCATION:Mott Seminar Room\, Cavendish Laboratory\, Department of Physics
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