Jianfeng Lu, Duke
Title: Localized representation of eigenspaces via convex
optimization
Abstract:
Wannier functions, which are localized representation of the
low lying eigenspace of Hamiltonian operators, play an important
role in
electronic structure theory. They give nice physical representation
of
the electronic structure and are fundamental building blocks of
linear
scaling algorithms. In this talk, we will discuss a convex
variational
principle that gives us these localized representations. The convex
variational principle makes possible efficient numerical algorithms
to
find the solutions.