-----Original Message----- From: Johannes Hachmann [mailto:jh@chemistry.harvard.edu] Sent: Wednesday, 20 November, 2013 17:58 To: A-G Group Subject: Prof. Fred Manby visit December 3 - Early warning Hi everybody, Prof. Fred Manby (http://www.chm.bris.ac.uk/pt/manby/ ) from the University of Bristol (UK) will be visiting the Boston area to give a talk

of the shared Harvard/MIT/BU Greater Boston Theoretical Chemistry Seminar series. The title of his presentation is "Electron correlation in

functional and coupled cluster theory" (please find his abstract below).

Manby will be visiting the Harvard campus on Tuesday, December 3 and we will have a group slot sometimes that day (more details later). As always,

are strongly encouraged to show up for the group slot and the talk. The seminar will be on Wednesday, December 4, 4:00pm at MIT, building 4- 163. Best, Johannes ----------------------------------------------------------- Prof. Fred Manby (University of Bristol): "Electron correlation in density functional and coupled cluster theory" http://www.chm.bris.ac.uk/pt/manby/ Wednesday, December 4, 4-6pm MIT Building 4, Room 163 Abstract: Electron correlation is treated very differently in density functional

and in wavefunction-based methods like coupled-cluster theory. Here I will show that there are some interesting points of connection, illustrated

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. Greater Boston Theoretical Chemistry Seminar ----------------------------------------------------------- Dr. Johannes Hachmann Research Associate Harvard University Department of Chemistry and Chemical Biology 12 Oxford St, Rm M104A Cambridge, MA 02138 ----------------------------------------------------------- Starting 01/2014: Assistant Professor University at Buffalo The State University of New York Department of Chemical and Biological Engineering Center of Excellence in Materials Informatics Furnas Hall Buffalo, NY 14260 http://www.cbe.buffalo.edu/people/full_time/j_hachmann.php -----------------------------------------------------------