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Molcas Direct SCF (Read 1647 times)
Gerrit-Jan Linker
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Molcas Direct SCF
08.04.11 at 19:21:06
 
Molcas Direct SCF
 
Direct SCF, on the fly calculation of integrals, can be done in Molcas using the DIRECT keyword in SEWARD.
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Gerrit-Jan Linker
Linker IT Software
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