• Parsnip8904@beehaw.org
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    1 year ago

    Glad to meet other people interested in stem :) I’m a physicist who used to work in quantum chemistry (not anymore though sadly).

    It is impossible to reproduce the wavefunction of a molecule in another molecule. Even the addition of a single hydrogen or electron changes the wavefunction. What you call molecular orbitals of benzene are the approximate solutions of stationary state Schrodinger equation that have somewhat fixed energy. They even change during the course of a reaction.

    It is impossible to recreate that without the exact same molecule. Instead what the authors have done is to reproduce something that has similar shape and symmetry as the homo/lumo of benzene. It will never react like benzene. Instead what it will do is to let us study how an electron would behave on benzene using all the awesome tools you have available for surfaces which is pretty amazing.