QuTiP for eelctronic structure calculations

[Raghavendra V]

Hi All,

Can someone please tell me if I can use QuTiP to electronic structure calculations like ground state optimization of molecules (above 60 atoms), time dependent density functional calculations and so on that can be done using quantum chemical packages like Gaussian or QChem or GAMESS etc.

Thank you.
Raghav

[nonher...@gmail.com]

Unfortunately no, qutip is not a good tool for the tasks that you mentioned. 

Regards,

Paul

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