The ab initio data provide the most detailed description of collision-based processes that are critical in
the development of non-LTE plasma flow models, and it is within this framework that future high-fidelity models
should be constructed.
On the left a representation of the N3 potential energy surface with the N-N-N angle constrained to 115 degrees. Blue regions have low energy and orange/red regions have high energy. The energy surface shown is an analytical fit based on first principles quantum chemistry calculations.
Credit to NASA Ames Quantum Chemist Group.
Model reduction
The ab initio data provide the most detailed description of collision-based processes that are critical in
the development of non-LTE plasma flow models, and it is within this framework that future high-fidelity models
should be constructed.
Problems/Comments to M. Panesi NEQRAD website created/maintained by K. Stephani Last update : September 2012