#  Fred Manby 

 



####  calendar\_today Date and Time 

 **December 4, 2013** 

 04:00PM - 06:00PM EST 

####  pin\_drop Location 

 **MIT, Building 4, Room 163**  



 

 



 

Prof. Fred Manby (University of Bristol): "Electron correlation in density functional and coupled cluster theory"  
<http://www.chm.bris.ac.uk/pt/manby/>

Greater Boston Theoretical Chemistry Seminar

  
Abstract:   
Electron correlation is treated very differently in density functional theory and in wavefunction-based methods like coupled-cluster theory. Here I will show that there are some interesting points of connection, illustrated first through a new kind of correlation functional derived from many-body theory using the Unsöld approximation; and second through an intriguing modification of coupled-cluster theory that probes one of the most dogmatically accepted assumptions of electronic structure theory: that one should never contemplate breaking the Pauli principle.



 

 



 

 See also:- [ Woodward Lectures in the Chemical Sciences, Theoretical Chemistry Seminar ](/seminars/woodward-lectures-chemical-sciences-theoretical-chemistry-seminar)
 
 

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