Campuses:

Density

Wednesday, October 1, 2008 - 11:15am - 12:05pm
Donald Truhlar (University of Minnesota, Twin Cities)
This lecture reports on work carried out in collaboration with
Yan Zhao.

We have developed a suite of density functionals. All four
functionals are accurate for noncovalent interactions and
medium-range correlation energy. The functional with broadest
capability, M06, is uniquely well suited for good performance
on both transition-metal and main group-chemistry; it also
gives good results for barrier heights. Another functional,
M06-L has no Hartree-Fock exchange, which allows for very fast
Tuesday, September 30, 2008 - 11:15am - 12:05pm
Gustavo Scuseria (Rice University)
This presentation will address our current efforts to develop
more accurate exchange-correlation forms
for density functional theory. There are two leading themes in
our current work: range separation and
local weights. On the first theme, I will present a three-range
hybrid functional and discuss the
rationale for the success of screened functionals like HSE and
LC-wPBE. On the second theme, the
emphasis will be on new metrics for local hybridization and
local range separation. Much of the focus
Tuesday, September 30, 2008 - 10:20am - 11:10am
Kieron Burke (University of California)
Recent work in my group has focussed on the semiclassical
origins of density functional theory, and how much of modern DFT
can be understood in these terms, including the limitations of present
approximations. I will discuss this in detail for model systems,
describing a method that avoids DFT altogether.
This leads to a grand algorithmic challenge, whose solution could
revolutionize electronic structure calculations, by allowing much
larger numbers of electrons to be tackled.
Monday, September 29, 2014 - 3:15pm - 4:05pm
Frederick Manners (University of Oxford)
A simple argument of Erdos shows that every set of integers has a subset of relative density at least 1/3 that is sum-free, i.e. contains no solutions to x+y=z. He conjectured that the constant 1/3 is best possible.

This conjecture was recently proved by Sean Eberhard, Ben Green and the speaker. A key component of the proof is a structural result concerning sets of integers with doubling constant strictly less than 4.

We will attempt to outline the proof of the sum-free statement, with an emphasis on the role of this doubling 4 lemma.
Monday, September 29, 2008 - 4:00pm - 4:40pm
Rodney Bartlett (University of Florida)
No Abstract
Saturday, September 27, 2008 - 2:00pm - 3:00pm
John Perdew (Tulane University)
Saturday, September 27, 2008 - 11:00am - 12:00pm
Eric Cances (CERMICS)
No Abstract
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