Author Topic: RIMP2-wavefunction  (Read 4104 times)

tayed

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RIMP2-wavefunction
« on: January 26, 2012, 10:37:11 am »
Hi everybody,

I want to know what's the name of the file containing the MP2 wavefunction? and what are the keywords using to have this file.

Thanks in advance.

Any help will be welcome

christof.haettig

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Re: RIMP2-wavefunction
« Reply #1 on: September 25, 2015, 07:52:51 pm »
There is no such file. You probably meant the first-order (MP1) amplitudes from which the MP2 energy is computed. But saving them on files would be incompatible with the effiency of RI-MP2