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How fast/slow is XMCQDPT?
Pedro Silva
pedros@ufp.pt
I have been performing TDDFT computaions on a 1023 basis function system. However, the predicted wavelengths for the transition I am interested in are much shorter than the experimentally observed ones. Therefore, I am thinking of running higher level computations. The system is quite large, so I fear I cannot run CI or CASSCF. Would XMCQDPT be able to do the trick in reasonable CPU time?Pedro
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Tue Feb 3 '09 2:27pm
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