Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
How tdprp works
During tddft run istate determine the property of that state if tdprp is enable. Let me say if istate=1 then its excited state wavefunction is used for property computation. Now if i use runtyp=optimize optimization of first excited state will be done. My question is if I use FFIELD would I get excited state hyperpolarizability??
Wed Nov 25 '15 9:51am
This message read 344 times