Tags: MO theory

Teaching Materials (1-3 of 3)

  1. Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing

    13 Feb 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin

    In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly...

  2. Exercise for MOSFET Lab: Device Scaling

    23 Jun 2010 | | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

    This exercise explores device scaling and how well devices are designed.

  3. Molecular Orbital Theory

    18 Dec 2006 | | Contributor(s):: luis emmanuel bonilla

    This is the seventh contribution from the students in the University of Texas at El Paso Molecular Electronics course given in the fall of 2006.Luis Bonilla and Abel Perez have designed a presentation on molecular orbital theory for high school students.Abel Perez: I obtained my BS at Instituto...