Calculation of the deuterium electric field gradient in LiD
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.447872
Reference16 articles.
1. Calculations of the deuterium electric field gradient from simple wave functions in the HD molecule
2. Erratum: Calculations of the deuterium electric field gradient from simple wave functions in the HD molecule [J. Chem. Phys. 75, 781 (1981)]
3. Errors in the calculations of first-order and second-order energy perturbations
4. Studies in Molecular Structure. II. LCAO-MO-SCF Wave Functions for Selected First-Row Diatomic Molecules
5. Deuteron Quadrupole Coupling in Diatomic ``Hydrides''
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1. Evaluation of two-center electric field gradient integrals over STOs using elliptical coordinates;The European Physical Journal D;2008-10
2. MRSD-CI calculations of deuteron quadrupole coupling constants for low-lying rovibrational levels of HD and D2 in their X1Σg+ and B1Σg+ states;Journal of Molecular Structure: THEOCHEM;1991-03
3. Theoretical description of nuclear quadrupole coupling in light diatomic molecules;International Journal of Quantum Chemistry;1990-08
4. Ab initio calculations of nuclear quadrupole coupling constants of low-lying rovibrational levels in theX1Σ+anda1Σ+states of all isotopic species of LiH;International Journal of Quantum Chemistry;1990-08
5. Ab initioSCF and CI studies of the electric field gradient in LiH;Molecular Physics;1990-03
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