Tags: energy states

All Categories (1-7 of 7)

  1. ABINIT: First-Time User Guide

    09 Jun 2009 | | 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 discuss the default simulation (what happens if you don't change any inputs, and just hit "simulate") as...

  2. Band Structure Lab Demonstration: Bulk Strain

    12 Jun 2009 | | 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.

  3. Berkeley GW

    27 Sep 2009 | | 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

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

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

    Note: This lecture has been revised since its original presentation.Topics:Introduction to Basic Quantum MechanicsEnergy States in Periodic Crystals

  5. Northwestern University Initiative for Teaching Nanoscience

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

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

  6. Stationary Perturbation Theory: an Exercise for PCPBT

    28 Jul 2008 | | 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 well.www.eas.asu.edu/~vasileskNSF

  7. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    18 Oct 2008 | | 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