Quantemol offers scientific software and consultancy expertise in the field of plasma modelling and plasma chemistry design
As well as providing advanced modelling software, Quantemol provides a unique consultancy service. With our suite of software and highly skilled engineers, we provide extensive and in depth analysis tailored to specific customer requirements. Consultancy projects range from small quick calculations work to comprehensive plasma chemistry development.
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 to Group Theory. The quantum chemical packages employed in QEC only use D_{2h} symmetry and […]
Q: How to distinguishes between a real resonance and pseudo resonance in QuantemolEC results? A: 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. (1984). “RESON – A program for the detection and fitting of Breit-Wigner […]
Quantemol-Virtual Tool (Q-VT) is an expert software system for the simulation of industrial plasma processing tools. Q-VT builds upon the comprehensively validated Hybrid Plasma Equipment Model (HPEM) ...
Read more »Developed for people working with complex chemistries, the Quantemol Database (QDB) supports and compares multiple data sets to establish a trusted resource for plasma chemistry information. Chemistry ...
Read more »Quantemol-EC is a new generation highly automated software to calculate electron-molecule scattering cross sections using a suite of new R-matrix codes with improved user-experience and enhanced ...
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