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

https://nanohub.org/resources/7446

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 Physics …

https://nanohub.org/resources/7321

Band Structure Lab Demonstration: Bulk Strain

03 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.

https://nanohub.org/resources/6815

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 discuss …

https://nanohub.org/resources/6874

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

https://nanohub.org/resources/5603

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.

https://nanohub.org/resources/5223

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 well. …

https://nanohub.org/resources/5130