Finding conical intersections between potential energy surfaces is key to understanding photochemistry, particular for ultrafast non-adiabatic reactions. An earlier post pointed out how often these conical intersections occur at a molecular geometry where there is a local triangular symmetry. This leads naturally to an effective Hamiltonian which has a C_3 (or higher) symmetry and the degenerate eigenstates are in the two-dimensional E representation.
However, there is more to the story...
There is a nice recent review Electronically excited states and photodynamics: a continuing challenge by Plasser, Barabatti, Aquino, and Lischka.
They present a Table of common motifs for "primitive conical intersections".
These do not have the "hidden" triangular symmetry discussed above.
The authors also suggest there are three distinct excited state pathways, summarised schematically in the diagram below. They respectively occur in the molecules shown:
Subscribe to:
Post Comments (Atom)
What is your experience of using AI for research in condensed matter theory?
I have been dabbling a little with using AI (at a very basic level) to help me with some research problems. For example, in a recent prepr...
-
This week Nobel Prizes will be announced. I have not done predictions since 2020 . This is a fun exercise. It is also good to reflect on w...
-
The Ising model is a paradigm in both statistical mechanics and condensed matter physics. Today for most theorists it is so familiar that so...
-
Some of my colleagues and I have started an interesting discussion about how to teach quantum theory to undergraduates. We have courses in t...



No comments:
Post a Comment