WFU Physics Colloquium

Title: "Design of an Electron Structure Program for Real Materials That's Simple, Fast, and Accurate -- 2 out of 3 ain't bad"

Speaker:

Alan Tackett
Wake Forest University

Time:

4 PM, Thursday, December 4, 1997

Place:

Room 101, Olin Physical Laboratory

Abstract:

Designing a flexible electron structure program to model bulk defects, perfect crystals, and surfaces is not an easy task. The problem is further complicated by the requirement that the calculation be accurate and fast. We give an overview of the choices of algorithms and approximations available and explain why we chose our approach.