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12:32 AM
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Q: Why is uncertainty not a big problem in computational chemistry?

M0M0The molecular Hamiltonian (or, for simplicity, the Fock operator) contains coulomb potentials as well as momentum operators. To evaluate the coulomb potential, we need to know where the electrons are. So basically we are messing with the position and momentum of the electron at the same time. The...

 
 
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2:15 AM
thaw
 

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