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Semiclassical improvements to density functional theory

Date and Time
-
Location
MSB 111
Organizers
Speaker
Kiril Datchev (Purdue)

Density functional theory is a standard tool for computing energies (eigenvalues) throughout chemistry and in many parts of physics and materials science. I will present the basics of the subject and then show how semiclassical analysis can improve the accuracy of its results. Specifically, we compensate errors in approximate density functionals using a normalization correction derived from semiclassical spectral asymptotics.