Cool stuff and thanks for the link, I'll have to learn about it when I have a bit more time.
I've always heard Qalgs for chemistry compared to classical methods though. Why do you think chemists are using CCSD and similar methods rather than the FT-ICR mass spectroscopy?
Comments
Energy levels and activation energies can be acquired much more simply from Fourier Transform - Ion Cyclotron Resonance - Mass Spectroscopy...
Its a device that makes and analyzes at the same time, check out this primer:
https://warwick.ac.uk/fac/sci/chemistry/research/oconnor/oco...
Cool stuff and thanks for the link, I'll have to learn about it when I have a bit more time.
I've always heard Qalgs for chemistry compared to classical methods though. Why do you think chemists are using CCSD and similar methods rather than the FT-ICR mass spectroscopy?