University of Cambridge > Talks.cam > Electronic Structure Discussion Group > Exact exchange-correlation kernels for optical spectra

  Browse A-Z

Log in

University Account External (via Google)

🔐 Log In

Information on

Subscribing to talksdetails Finding a talkdetails Adding a talkdetails Disseminating talksdetails Help and Documentationdetails

ℹī¸ Information

Exact exchange-correlation kernels for optical spectra

Download to your calendar using vCal

If you have a question about this talk, please contact Nick Woods .

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 approximate functionals for electron exchange and correlation – in particular the exchange-correlation kernel, fxc, the functional derivative of the exchange-correlation potential with respect to the electron density. To assist the construction of more powerful approximations for fxc, we calculate the exact fxc(x,x’,Ī‰) for a number of small, prototype systems, and analyse its character, including key aspects in which it differs from the common approximations.

This talk is part of the Electronic Structure Discussion Group series.

This talk is included in these lists:

Note that ex-directory lists are not shown.

Other lists

Goldsmiths 1 & https://zoom.us/j/96836714124 Donald McIntyre Building, Faculty of Education, 184 Hills Road | ROOM GS1 The Ellen McArthur Lectures 2013

Other talks

CSAR lecture: In a post-Ozempic world, have we cured obesity? Title TBC Discovery Investigations: Science, Empire and the Making of the British South Atlantic Morning Break Title to be confirmed Afternoon Break
 

Š 2006-2025 Talks.cam, University of Cambridge. Contact Us | Help and Documentation | Privacy and Publicity