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SUMMARY:Exact exchange-correlation kernels for optical spectra - Mike Entw
 istle\, University of York
DTSTART:20190213T120000Z
DTEND:20190213T123000Z
UID:TALK120337@talks.cam.ac.uk
CONTACT:Nick Woods
DESCRIPTION:Time-dependent Kohn-Sham density functional theory (TDDFT) is 
 in principle an exact theory of excited states in many-electron systems\, 
 such as the optical absorption spectrum of molecules and solids\, but its 
 application is severely restricted by the limitations of the available app
 roximate functionals for electron exchange and correlation – in particul
 ar the exchange-correlation kernel\, fxc\, the functional derivative of th
 e exchange-correlation potential with respect to the electron density. To 
 assist the construction of more powerful approximations for fxc\, we calcu
 late the exact fxc(x\,x’\,ω) for a number of small\, prototype systems\
 , and analyse its character\, including key aspects in which it differs fr
 om the common approximations.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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