Spectroscopic Constants and Potential Energy Curves for GeF

✍ Scribed by D.W. Liao; K. Balasubramanian

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 335 KB
• Volume: 163
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1994.1024

✦ Synopsis

The spectroscopic constants of the electronic states of GeF lying below the (60000 \mathrm{~cm}^{-1}) region are obtained using the complete active space multiconfiguration self-consistent field followed by first- and second-order configuration interaction (FOCI, SOCI) methods which included up to a million configurations. The potential energy curves of the low-lying electronic states are also computed. The computed spectroscopic constants confirm the assignments of the (X, A, a, C, C^{\prime}), and (D^{\prime}) states of (\mathrm{GeF}). In addition the spectroscopic constants of several electronic states of (\mathrm{GeF}) are predicted which are yet to be observed. (ci 1994 Academic Press. Inc.