Introduction to Electron Spin Part 2

  Рет қаралды 2,350

David Sherrill

David Sherrill

3 жыл бұрын

I discuss some more complicated examples of determining electron spin: transition-metal complexes, and diradicals. I also explain what an open-shell singlet is, and how it's important for modeling excited electronic states (and for some ground states). We conclude the introduction to Spin by talking about spin eigenfunctions, and spin contamination in UHF computations.

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