Tags: semi-empirical methods

Resources (1-5 of 5)

  1. Band Structure Lab Demonstration: Bulk Strain

    12 Jun 2009 | Animations | Contributor(s): Gerhard Klimeck

    This video shows an electronic structure calculation of bulk Si using Band Structure Lab. Several powerful features of this tool are demonstrated.

    http://nanohub.org/resources/6815

  2. OMEN Nanowire Demonstration: Nanowire Simulation and Analysis

    11 Jun 2009 | Animations | Contributor(s): Gerhard Klimeck, Benjamin P Haley

    This video shows the simulation and analysis of a nanowire using OMEN Nanowire. Several powerful analytic features of this tool are demonstrated.

    http://nanohub.org/resources/6833

  3. Northwestern University Initiative for Teaching Nanoscience

    12 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina

    This package allows users to study and analyze of molecular properties using various electronic structure methods.

    http://nanohub.org/resources/nuitns

  4. Tutorial on Semi-empirical Band Structure Methods

    06 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska

    This tutorial explains in details the Empirical Pseudopotential Method for the electronic structure calculation, the tight-binding method and the k.p method. For more details on the Empirical...

    http://nanohub.org/resources/4882

  5. CNDO/INDO

    09 Oct 2007 | Tools | Contributor(s): Baudilio Tejerina, Jeff Reimers

    Semi-empirical Molecular Orbital calculations.

    http://nanohub.org/resources/CNDO