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Transferability of dipole moment derivatives: Calculation of absolute rotational contributions for symmetrical molecules

โœ Scribed by J.H.G. Bode; W.M.A. Smit; A.J. van Straten


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
444 KB
Volume
75
Category
Article
ISSN
0022-2852

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๐Ÿ“œ SIMILAR VOLUMES


Theoretical study of the dipole moment,
โœ K.K. Sunil; K.D. Jordan ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 477 KB

Many-body perturbation theory and coupled-cluster theory are used to determine the dipole moment, polarizabilities, and their derivatives with respect to internuclear separation for the CO molecule. There are sizable errors in the dipole moment and its derivative when evaluated in the MP4(SDTQ) appr