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Quantum justification for classical discussions of potential energy surfaces in chemistry
In computational quantum chemistry, the Born-Oppenheimer approximation (BOA) is used to determine potential energy surfaces (PES) for elect...
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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... -
Is it something to do with breakdown of the Born-Oppenheimer approximation? In molecular spectroscopy you occasionally hear this term thro... -
Nitrogen fluoride (NF) seems like a very simple molecule and you would think it would very well understood, particularly as it is small enou...
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