Quantemol Academy Q&A
QEC
Q&A: What are QEC limitations for molecules with heavy atoms?
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...
Q&A_QEC: How easy is it to use QEC software?
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...
New Series of Posts: 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...
Q&A_QEC: Momentum Transfer and differential cross sections
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...
Q&A_QEC: Rotational Cross section Data
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...
Q&A_QEC: Vertical Excitation Energy Cutoff
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...
Q&A_QEC: Pseudo and real resonances
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...
Q&A_QEC: electronic states representation
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...
QVT
Simulating electrodynamic effects in ССP high-frequency discharges
Very high frequency (around 100 MHz) capacitively coupled discharges have garnered a lot of interest in the plasma science community due to their ability to produce much higher plasma densities than...
Monte Carlo approach vs Fluid model.
We are often asked by potential customers, where the electron Monte Carlo approach implemented in HPEM and accessible via QVT gives an advantage in modelling plasma? Why not just use a fluid model alone? Fluid...
Q&A_QVT: Parallelisation
Q: How to utilize parallelisation in QVT( HPEM)? A: Paralleliastion option is available in all versions of QVT and it can be enabled via the interface in the calculations settings tab. You need to check the...