Title of article :
Spectroscopic constants and potential energy curves of PF
Author/Authors :
Latifzadeh، نويسنده , , Lida and Balasubramanian، نويسنده , , K.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1995
Abstract :
Spectroscopic constants of low-lying bound electronic states and potential energy curves of 19 electronic states of PF arising from the valence dissociation limits are computed using the complete active space self-consistent field (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods, which included up to 0.9 million configurations.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters