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Tags: energy states

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  1. Berkeley GW

    27 Sep 2009 | Tools | Contributor(s): Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton

    This is an educational tool that illustrates the calculation of the electronic structure of materials using many-body perturbation theory within the GW approximation

    http://nanohub.org/resources/berkeleygw

  2. ME 597 Lecture 1: Introduction to Basic Quantum Mechanics

    01 Sep 2009 | Online Presentations | Contributor(s): Ron Reifenberger

    Note: This lecture has been revised since its original presentation. Topics: Introduction to Basic Quantum Mechanics Energy States in Periodic Crystals Course is dual listed as...

    http://nanohub.org/resources/7321

  3. 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

  4. ABINIT: First-Time User Guide

    09 Jun 2009 | Teaching Materials | Contributor(s): Benjamin P Haley

    This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We...

    http://nanohub.org/resources/6874

  5. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    18 Oct 2008 | Tools | Contributor(s): Terence Musho, Greg Walker

    Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using Non-Equilibrium Green's Functions

    http://nanohub.org/resources/nccpf

  6. 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

  7. Stationary Perturbation Theory: an Exercise for PCPBT

    28 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

    This exercise allows us to test the first and second order stationary perturbation theory and explain mathematically the shift in the energies due to a small perturbation in a quantum...

    http://nanohub.org/resources/5130

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