Post HF methods ( CCSDT) vs DFT

[Himanshu Sharma]

For the given molecule it is better to use dft rather than post hartree method such as CCSDT with much better accuracy less error because of speed
For large molecule such as this one the computational time is very large for post CCSDT ie it’s really slow .
So in short we can say if the molecule is small we should use CCSDT.
If it’s large go for DFT.

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