Alex Granovsky
gran@classic.chem.msu.su
My personal opinion is that there is no or little physical sense
in this wavefunction.
Kind regards,
Alex Granovsky
On Thu Jan 8 '15 6:18am, kaushik hatua wrote
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>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?
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