by Anna Nelson | Jun 12, 2024 | Q&A
QEC can calculate cross sections for molecule with atoms as heavy as Ar and up to 20-25 atoms in total. However if you want to go beyond Ar you can proceed with caution. The complexity level increases for us with the number of electrons in the system. If the number of...
by Anna Nelson | Jun 13, 2023 | Q&A
Q: How easy is it to use QEC? A: QEC is designed to be highly user-friendly, and provides an easy to use graphical user interface (GUI) through which users are prompted to enter quantities required for their calculations. A tutorial on how to run a QEC calculation may...
by Sebastian Mohr | Feb 17, 2023 | Q&A
Quantemol team has been rather busy recently with active preparation of software releases for QVT (available) and QEC (coming soon) and due to several new customers joining this summer. We always welcome active users and their questions have inspired us to create a...
by Sebastian Mohr | Feb 17, 2023 | Q&A
Q: Can QEC calculate the momentum transfer, differential and integrated differential cross-section? Does it only provide scattering cross-section data on elastic collisions between electrons and ground-state molecules or other processes too? A: Yes it does calculate...
by Sebastian Mohr | Feb 17, 2023 | Q&A
Q: How rotational cross section data is calculated in QEC and where can I find the results? A: QEC plots the summed cross-sections of all transitions calculated in the PolyDCS module, but not the cross-sections for the individual processes. You can find the detailed...
by Sebastian Mohr | Feb 17, 2023 | Q&A
Q: What is the difference between the vertical excitation energy cutoff, start energy and end energy in close coupling (CC) calculations in QEC? A: The start and end energy grid define the energies of the incoming scattering electron. The vertical energy cutoff...
