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RHF vs ROHF in CPU TIME?
Siddheshwar Chopra
sidhusai@gmail.com
Dear Firefly Users,
Could anyone point out the differences between the RHF and ROHF on the basis of CPU times? I read on some other forum that both of these time scale by N^4. But I need to know say for all the parameters left same, how much do they differ in CPU time? I wish to study the neutral molecules using RHF and ROHF (with same parameters) both. Can I compare their computational results: HOMO-LUMO etc. properties?Regards,
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Tue May 6 '14 10:04am
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