The Theory of Density Functional Theories: electronic, liquid, and joint

 

Density Functional Theory, as recognized by Walter Kohn's share of the Nobel prize in 1998, with its radical simplification of electronic structure theory, has become one of the most important tools in materials physics and chemistry.  Perhaps less well appreciated is the fact that the same sort of simplification can be made to the theory of the equilibrium molecular structure of liquids and to electronic systems in equilibrium with such liquids.  This module will emphasize the theoretical underpinnings of Density Function Theory in these various contexts, looking at the underlying theorems, some of the thorny mathematical issues (such as N- and v- representability), the extentions to finite temperature, multicomponent, and time-dependent systems.  The construction of practicable approximate functionals will also be discussed.

There will be two homework sets assigned

About the Module

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