Nov 042011

Computational methods for extended and periodic systems (solids, surfaces) are dominated by density functional theory, but in the past fifteen years alternative approaches have been suggested. Among these there is dynamical mean field theory. The Chan group recently has been pioneering the use of DMFT theory in conjunction with highly-accurate wave function methods like configuration interaction theory. Check out this talk by Chan: Dynamical Mean Field Theory from a Quantum Chemistry Perspective, it’s a good introduction.
For more details consult the JCP paper of Dominika Zgid and Garnet Chan: Dynamical mean-field theory from a quantum chemical perspective.

 November 4, 2011  Uncategorized

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