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Author Topic: B3LYP orbitals  (Read 4900 times)

tayed

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B3LYP orbitals
« on: April 12, 2012, 05:08:52 PM »
Hi everybody,

I'm trying to do two component-calculation with the hybrid functional B3LYP.

 How can i have the orbital occupation at this level of calculation ?


Thanks in advance.

Best ragards
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