New answers tagged quantum-chemistry
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Which quantum numbers does the orbital angular momentum depend on?
Orbital angular momentum, like any other form of angular momentum, is a vector quantity.* Thus, it has both a magnitude as well as a direction.
The magnitude of the orbital angular momentum is given ...
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Estimating the energy required for dissociation from visible absorption spectra
Quiz 3 has been annoying.
From the graph, we know that the molecule dissociates at a wavelength of ~262.5 nm. We know this as this is when there are no more transitions, as indicated by the completely ...
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What exactly is meant by 'multi-configurational' and 'multireference'?
I would like to add to the above description. The reference states involve the spin function. For two electrons there are four spin functions, aa, (ab + ba)/sqrt 2, and bb for the triple state and (...
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When does Hartree-Fock fundamentally fail?
HFA really struggles when the correlation energy is too great. I dont know every example where this is true but I do know when you have a heavy metal it is. The increased mass of the metal imposes a ...
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