Macroscopic Electrostatics at Positive Temperature from the Density Functional Theory

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" Macroscopic Electrostatics at Positive Temperature from the Density Functional Theory "
Chen, Li Ilias Chenn Sigal, Israel M

Document Type	:	Latin Dissertation
Language of Document	:	English
Record Number	:	1052661
Doc. No	:	TL51778
Main Entry	:	Chen, Li Ilias Chenn
Title & Author	:	Macroscopic Electrostatics at Positive Temperature from the Density Functional Theory\ Chen, Li Ilias ChennSigal, Israel M
College	:	University of Toronto (Canada)
Date	:	2019
Degree	:	Ph.D.
student score	:	2019
Note	:	125 p.
Abstract	:	The purpose of this thesis is to study local perturbations of equilibrium crystalline states of the density functional theory (DFT) at positive temperature through the Kohn-Sham equations under local-density approximation (LDA). Under suitable scaling and at low temperature, we prove an existence result for the Kohn-Sham equations and show that local macroscopic perturbations from periodic equilibrium states give rise to the Poisson equation as an effective equation.
Descriptor	:	Chemistry
	:	Mathematics
	:	Quantum physics
Added Entry	:	Sigal, Israel M
Added Entry	:	University of Toronto (Canada)