Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
RHF vs ROHF in CPU TIME?
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?
Tue May 6 '14 10:04am
This message read 617 times