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Friday, August 31, 2012

Very quick introduction to molecular quantum mechanics for simple systems

a. A brief motivation for the Schrödinger equation
b. Four simple examples of the Schrödinger equation
c. Solutions to the Schrödinger equation for three simple systems
d. Changes in quantum states and spectroscopy: a simple example
e. Tunneling and scanning tunneling microscopy 

The simulations are done using a free program called Molecular Workbench.  Once you have installed Molecular Workbench you can download the list of simulations here.

Slides for video a-d
Unifying Concepts in Nanoscience video slides from molmodbasics


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This work is licensed under a Creative Commons Attribution 3.0 Unported License.  
Posted by Jan Jensen at 14:47
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News and views on computational chemistry from the Center for Computational Molecular Sciences at the University of Copenhagen

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