Journal ArticleDOI
Spectroscopy of the NaH, NaD, KH, and KD X 1Σ+ ground state by laser excited fluorescence in a high frequency discharge
Marc Giroud,Odette Nedelec +1 more
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TLDR
By laser excited fluorescence of the hydrides obtained in a discharge, the ground state vibrational levels of NaH, NaD, KH, and KD have been observed up to v″=15, 20, 14, and 16, respectively, instead of v″ = 8, 2, 4, and 4 by conventional spectroscopy.Abstract:
By laser excited fluorescence of the hydrides obtained in a discharge, the ground state vibrational levels of NaH, NaD, KH, and KD have been observed up to v″=15, 20, 14, and 16, respectively, instead of v″=8, 2, 4, and 4 by conventional spectroscopy. Experimental values of Gv″, Bv″, and Dv″ are obtained. Spectroscopic parameters and RKR potential curves are calculated. In NaH and NaD, a comparison can be made with ab initio calculations.read more
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The NMR Chemical Shift: Insight into Structure and Environment
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The nuclear magnetic shielding as a function of internuclear separation
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References
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Journal ArticleDOI
Dissociation Energy and Long‐Range Potential of Diatomic Molecules from Vibrational Spacings of Higher Levels
TL;DR: Dissociation energy and long range interatomic potential of diatomic molecules from vibrational spacings of higher levels were analyzed in this paper, showing that the potential of a diatomic molecule to be dissociation-free is very high.
Journal ArticleDOI
PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first‐row and second‐row diatomic hydrides
Wilfried Meyer,Pavel Rosmus +1 more
TL;DR: In this paper, a systematic investigation of the ground state potential curves and dipole moment functions has been performed for the diatomic hydrides LiH to HCl on the basis of variational configuration interaction wavefunctions PNO-CI and the coupled electron pair approximation CEPA.
Journal ArticleDOI
The Low Electronic States of Simple Heteropolar Diatomic Molecules. I. General Survey
TL;DR: The three lowest energy states of molecules (H, M, and MH) are more or less analogous and labeled $N, $T, $V, and $V$ as discussed by the authors.
Journal ArticleDOI
MCSCF calculations for six states of NaH
TL;DR: In this paper, multiconfiguration self-consisting field calculations are reported for the energies, electronic wavefunctions, and one-electron properties of the X1Σ+, A1-�+, B1Π, a3Σ+ b3Π and c3-�+ states of NaH over a wide range of internuclear distances.
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