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ronnie5031(金币+2):thanks 2011-01-08 10:49:48
ronnie5031(金币+1): 2011-04-28 11:34:52
A MP2 job will get HF energy, E(HF), and wavefunction first, then get the second order correction to the energy,E(2), so E(MP2)= E(HF) + E(2).
HF energy is first order energy,E(HF)=E(0)+E(1) and HF wavefunction is zeroth order wavefunction. |
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