Title of article :
Spectroscopic constants and potential energy curves of GeF+
Author/Authors :
Xu، نويسنده , , Hua and Balasubramanian، نويسنده , , K.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1995
Pages :
7
From page :
7
To page :
13
Abstract :
Spectroscopic constants and potential energy curves of 27 electronic states of GeF+ are computed using the complete active space self-consistent field (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods that included up to 1.6 million configurations. Our computed spectroscopic constants of the 1Σ+ electronic state fit well with the experimentally observed X ground state. Other yet to be observed properties of several excited electronic states are reported.
Journal title :
Chemical Physics Letters
Serial Year :
1995
Journal title :
Chemical Physics Letters
Record number :
1773457
Link To Document :
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