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An accurate ab initio calculation of the dipole moment function of GeH

✍ Scribed by Hans-Joachim Werner; A.D. Buckingham

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 485 KB
Volume: 125
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)87073-7

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✦ Synopsis

The potential energy and dipole moment functions of the X 2fI ground state of the GeH radical have been computed using highly correlated SCEP CEPA electronic wavefunctions.

The calculated dipole moment pa in the vibrational ground state is 0.16 D (Ge+ H-). This result questions the value of 1.24 D derived by Brown, Evenson and Sears from a comparison of intensities of electric and magnetic dipole transitions. The GeH radical is predicted to be a strong infrared emitter.

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