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Tags: semi-empirical methods

All Categories (1-11 of 11)

  1. William Ernesto Abarca

    Physics student at University of El Salvador, member of Prof. Dr. Carlos Rudamas Research Group focused in Optical Spectroscopy Applications. Working on theoretical calculations of molecules

    http://nanohub.org/members/56040

  2. 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

  3. 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

  4. 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

  5. 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

  6. CNDO/INDO

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

    Semi-empirical Molecular Orbital calculations.

    http://nanohub.org/resources/CNDO

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