Variational Deinsity Matrix


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Posted by Shachar Klaiman on August 28, 2012 at 07:42:27:

Hi

In the MBPT2 program the key word GRDT is said to calculate the "Variational one and two-particle MP2 densities". What are the exact definitions of these quantities used in the program and could they be printed out?

Thank you in advance for your help,
Shachar


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if B is 1s22s22p1, what is Li?

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