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Calculation of molecular electric polarizabilities and dipole moments. II. The LiH molecule (1977)

Haley, Lawrence V. ; Hameka, Hendrik F.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 11 (1977), S. 733-741

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: We use a variation-perturbation method to calculate the electric polarizabilities and the electric dipole moment of the LiH molecule. We obtain 4.455 for the perpendicular polarizability and 4.001 (×10-24 cm3) for the parallel polarizability. Our result for the electric dipole moment at equilibrium nuclear distance is 5.866, which is in excellent agreement with the experimental value 5.828 debye units.

Additional Material: 5 Tab.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560110505

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