Some molecular properties of LiH and LiD
- 15 November 1974
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 61 (10) , 4217-4223
- https://doi.org/10.1063/1.1681720
Abstract
The results of both experiment and theory have been combined to produce some new and accurate properties of LiH and LiD. The measurement of some specific ground state hyperfine and Zeeman energies by molecular beam electric resonance (MBER) is discussed. The importance of vibrationally averaging expressions for molecular constants obtained from accurate experimental measurements as well as molecular properties obtained in theoretical ab initio calculations using well‐correlated wavefunctions is emphasized. New values for the electric quadrupole moment of 7Li and D are presented: QLi = −4.26×10−26 cm2 and QD = 2.9×10−27 cm2. In addition, as a check on both experiment and theory, the molecular rotational gJ factor and spin‐rotation interaction constants are calculated and compared.Keywords
This publication has 19 references indexed in Scilit:
- Molecular Zeeman spectra of 6,7Li 79,81BrThe Journal of Chemical Physics, 1974
- Electric Field Gradient and Magnetic Spin-Spin Interactions in Isotopes of the Hydrogen MoleculePhysical Review A, 1973
- Accurate Potential Curves and Properties for the X 2π and A 2Σ+ States of LiOThe Journal of Chemical Physics, 1972
- Use of Ab Initio G1 Effective Potentials for Calculations of Molecular Excited StatesThe Journal of Chemical Physics, 1972
- Quadrupole Moment of LiPhysical Review A, 1971
- Multi-configurationSCF calculations on LiHInternational Journal of Quantum Chemistry, 1970
- Electronic Structure of LiH According to a Generalization of the Valence-Bond MethodThe Journal of Chemical Physics, 1969
- Theoretical Study of the LiH MoleculeThe Journal of Chemical Physics, 1968
- A configuration interaction study of the four lowest 1∑+ states of the LiH moleculeInternational Journal of Quantum Chemistry, 1968
- Molecular Properties Which Depend on the Square of the Electronic Coordinates; H2 and NNOThe Journal of Chemical Physics, 1966