initial guess orbitals for OT

carlos decarlos... at gmail.com
Sat Mar 2 18:33:48 CET 2013


Hi,
I'm posting to see if anyone can explain how the guess orbitals, required 
to initiate the SCF when using the orbital transformation method, are 
generated.   I've looked through the source code and it appears as if the 
guess vectors are built using a random number generator, or something 
similar in spirit, but I may be misinterpreting the code.  Any insight into 
how the initial orbital set is constructed would be helpful.
 
Thanks,
Carlos  
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