by Sebastian Mohr | Feb 17, 2023 | Q&A
Q: How to distinguishes between a real resonance and pseudo resonance in QuantemolEC results? The resonance parameters are produced as a part of the #QuantemolEC output, based on RESON module results. Read more about RESON here: Tennyson, J., & Noble, C. J....
by Sebastian Mohr | Feb 17, 2023 | Q&A
Q: Why electronic excited states for diatomic molecules in #quantemolEC are represented differently than conventionally expected? For example, N2 molecule’s second and third excited states are represented by B1U, B3G instead of A 3∑u+, B 3∏g. A: This is related...
