Chemistry

Post-SCF Methods - Density Functional Theory


Post-SCF methods: computational effort

With an increasing number of atoms (N), the computational effort increases exponentially. As the accuracy of the description of the electron correlation increases, so does the exponent. Some examples are listed in the table below.

Tab. 1
SCFN4
MP2N5
MP4N7
QCISD (T)N7
full CI?


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