near Munrch, Federal Republic of Gwmany and Andrzej 3. SADLEJ Received 11 October lPg4;in f& form 3 December 1984 The multipole moments and polanrabilities of methane are calculated by using the finit.e-tield pert&&on approach withh the Hartree-Fock SCF approximation and a large, proper&oriented an
Spherical tensor theory of molecular multipole moments and polarizabilities
โ Scribed by C.G. Gray; B.W.N. Lo
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 921 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0301-0104
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๐ SIMILAR VOLUMES
The electric quadrupole ((3) and hexadecapole (a) moment, and the quadrupole polarizability ( Cas& of chlorine were ob tained from finite-field self-consistent field and Meller-Plcsset perturbation theory calculations. The quadrupole and hexadecapolemoments arequite wellapproximated, in atomicunits,
Ab initio calculations of the quadrupole and hexadccapole moments, and the static dipole polarizabilities and hyperpolarizabilities are reported for Cl, and Br,. These calculations allow for both electron correlation and molecular vibration. The electronic contributions to the various properties are