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CSF: Configuration State Function (Read 4375 times)
Gerrit-Jan Linker
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CSF: Configuration State Function
13.08.08 at 21:58:01
 
CSF: Configuration State Function
 
A Configuration State Function (CSF) is a linear combination of Slater determinants that fulfill spin and spatial symmetry constraints.  
 
CSF's are used as a basis in CI (RASSCF) calculations rather than the Slater determinants.
 
Only CSF's that have the same multiplicity as the HF reference contribute to the correlation energy.
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« Last Edit: 26.12.09 at 10:51:07 by Gerrit-Jan Linker »  

Gerrit-Jan Linker
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