Quantemol team is happy to announce a new feature introduced in Quantemol-N v.4.1:
The Align feature allows you to calculate cross-sections for a molecule oriented in a particular way, rather than as an average of all orientations. This feature can be useful for example when working with laser aligned gases or liquids or thin film coating of a substance with aligned molecules.
The outputs can show how the double differential cross sections change as a function of both molecular alignment, and also as a function of energy. See the demo for the water molecule here
As a reminder, below is a list of other cross-sections which Quantemol-N can calculate:
- Elastic cross-sections
- Electronic excitation cross-sections (extended to high energies) Super-Elastic cross-sections between excited states
- Electron impact dissociation
- Scattering reaction rate
- Resonance parameters
- Ionization cross-sections
- Dissociative electron attachment
- Atomic cross-sections
- Differential cross-sections
- Momentum transfer cross-sections
- Liquid state approximation (cutting off the long range interactions)
Please feel free to contact us and arrange a web-demo of the software.
You can also meet us at conferences in 2012 announced at our web-site diary
We are glad to announce our next Quantemol Workshop, which will take place on the 7th November 2012. Among speakers are academic and industrial researchers from Intel, Infineon, Eindhoven Universiy and LSPM, Paris. Please see this link for more details.