[molpro-user] DFT-SAPT and CCSD-SAPT for homodimers

Leonid Shirkov leonid.shirkov at gmail.com
Mon Oct 3 23:50:24 CEST 2016

Dear Molpro Authors,

as I understand,  there is no need to calculate the monomer properties
twice for homodimers.
Currently there is no way to treat homodimers as a special case, isn't it?

Implementation of such option in Molpro could reduce the computational
cost of SAPT for homodimers.


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