CGTB

15 Jun 2006 | Tools | Contributor(s): Gang Li, Yang Xu, Narayan Aluru

Compute the charge density distribution and potential variation inside a MOS structure by using a coarse-grained tight binding model

https://nanohub.org/resources/cgtb

CNDO/INDO

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

Semi-empirical Molecular Orbital calculations.

https://nanohub.org/resources/CNDO

Periodic Potential

21 Feb 2007 | Tools | Contributor(s): Heng Li, Alexander Gavrilenko

Calculation of the allowed and forbidden states in a periodic potential

https://nanohub.org/resources/periodicpot

Periodic Potential Lab

19 Jan 2008 | Tools | Contributor(s): Abhijeet Paul, Junzhe Geng, Gerhard Klimeck

Solve the time independent schrodinger eqn. for arbitrary periodic potentials

https://nanohub.org/resources/kronig_penney

Quantum Bound State

27 Mar 2007 | Tools | Contributor(s): Alexander Gavrilenko, Heng Li

Particle in a box - The particle in a box (or the infinite potential well) is a simple idealized system that is completely solved within quantum mechanics. The infinite potential well is a finite …

https://nanohub.org/resources/electromat

Quantum Dot Lab

12 Nov 2005 | Tools | Contributor(s): Gerhard Klimeck, Lars Bjaalie, Sebastian Steiger, David Ebert, Tillmann Christoph Kubis, Matteo Mannino, Michael McLennan, Hong-Hyun Park, Michael Povolotskyi

Compute the eigenstates of a particle in a box of various shapes including domes and pyramids.

https://nanohub.org/resources/qdot

Theoretical Electron Density Visualizer

01 Jul 2008 | Tools | Contributor(s): Baudilio Tejerina

TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.

https://nanohub.org/resources/tedvis

UV/Vis Spectra simulator

04 Mar 2008 | Tools | Contributor(s): Baudilio Tejerina

This tool computes molecular electronic spectra.

https://nanohub.org/resources/uvspec