If anybody wants to use the trip down the street to listen even more
Quantum Chemistry seminars, Emily Carter from Princeton is talking @ 3pm at
66-110 about Quantum Mechanics and Energy.
jorge
On Wed, Dec 4, 2013 at 12:57 PM, Johannes Hachmann <jh(a)chemistry.harvard.edu
Hi everybody,
A quick reminder that Fred Manby's TheoChem talk is this afternoon.
I hope many of you can make it so that we have a strong showing in our
seminar series.
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
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.
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
-----------------------------------------------------------
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