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

✍ Scribed by Lawrence V. Haley; Hendrik F. Hameka

Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
466 KB
Volume
11
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

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^ cm^3^) 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.

📜 SIMILAR VOLUMES

Calculation of molecular electric polari
Calculation of molecular electric polarizabilities and dipole moments. III. BH molecule
✍ Carl E. Waltz; Hae-Won Kim; Hendrik F. Hameka 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 262 KB

## Abstract We use a previously proposed variation‐perturbation method to calculate the electric polarizabilities and the electric dipole moment at equilibrium nuclear distance of the BH molecule. We obtain 3.56 × 10^−24^ cm^3^ for the perpendicular polarizability α~__xx__~ and 3.22 × 10^−24^ cm^3^

Two-dimensional fully numerical MC SCF c
Two-dimensional fully numerical MC SCF calculations on H2 and LiH: The dipole moment of LiH
✍ Leif Laaksonen; Dage Sundholm; Pekka Pyykkö 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 215 KB

A multiconfiiurattlon version of the twodimensional\_ fully numerical Hartree-rock method is presented and applied to H, and LiH. In mmbination with CAS SW LCAO results, a dipole moment of 2.310(4) au is obtained for L.W(V = 0, J = 1) (expt 2.3141(2)).