## 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?

Thu Jan 8 '15 6:18am

This message read **416** times