Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Physical interpretation of wave function
kaushik hatua
kaushikchemhatua@gmail.com
Daer all
Can anybody help me to understand what is physical interpretation of a wave function having s_2 value 1.000 which represents a broken symmetry open shell singlet state. However this wave function is not spin Eigen function. What is the reliability of any property calculated from this wave function like excitation energy dipole moment emission spectra?
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Thu Jan 8 '15 6:18am
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 709 times