MBPT4 = MP4
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Guest -
10:39:11 AM PST - Wed, Feb 1st 2012
Short answer: yes. Note, TCE does only do numerical gradients.
Bert
Quote:
Feb 1st 3:31 pm
Hi,
Do I understand correctly that MBPT4 is equivalent to MP4 for the ground state?
So, can I change the code
mp2 tight freeze atomic end task MP2 optimize
to
TCE MBPT4 freeze atomic end task TCE optimize
for geometry optimization, taking into account the MP4 correlation?