Finding the Right Density from the Wrong Temperature with Thermal Density Functional Theory
ORAL
Abstract
Using the Mermin theorem, we define a correction to the one-body potential that ensures that a calculation performed at some reference temperature generates the exact density at some other desired temperature. We list various properties of this potential and derive a simple approximation for the free energy at the desired temperature. We calculate this effective thermal potential exactly for the two-site Hubbard model, and find that our free-energy approximation is highly accurate under many conditions.
*NSF Graduate Research fellowship program under Award No. DGE-1321846. US Department of Energy (DOE), Office of Science, Basic Energy Sciences under Award No. DE-FG02-08ER46496.
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Presenters
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Justin Smith
- Mathematics, University of California, Los Angeles