Dipole moment surfaces and spectroscopic
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Brian T. Sutcliffe
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Article
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1999
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John Wiley and Sons
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English
β 223 KB
Modern nonempirical calculations of the rotationαvibration spectra of small molecules often use a dipole moment surface computed from a clamped nuclei electronic structure calculation to determine the transition intensities. In this article, an attempt is made to analyze what exactly is involved in