Excited States Explained
Adding slated determinants corresponding to excited states can enhance the estimation of ground state energies and wave functions. By combining these excited states with the Hartree Fock estimates, a more accurate representation of electron configurations emerges. Interestingly, while singly excited states don't influence the ground state, incorporating doubly excited states is crucial for refining these estimates.In this clip
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The Science of Everything Podcast
Episode 120: Computational Chemistry Part 2
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