Multipole polarizabilities of Ar
β Scribed by Ivan Cernusak; Geerd H.F. Diercksen; Andrzej J. Sadlej
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 611 KB
- Volume
- 128
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
The four lowest multipole polarizabilities of Ar have been calculated by using the complete fourth-order many-body perturbation theory approach and a large GTO/CGTO basis set including a number of diffuse and polarization functions. The present results for the dipole polarizability (a= 11.23 au), quadrupole polarizability (C = 26.79 au), dipole-quadrupole polar&ability (B = -164.3), and the dipole hyperpolarizability (y = 1329 au) are compared with other theoretical data and experimental values.
π SIMILAR VOLUMES
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
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,
A procedure to derive closed form-sum rules for the hadron generalized electric and magnetic polarizabilities of any multipolar order is presented and discussed. The obtained results complete our previous analysis and may prove useful for a better understanding of the polarizability properties of a
The improvement proposed by ShuMa and Easa to the variational calculation of multipoie pokuizabdities of atoms has been applied to molecules. The convergence of the technique appears to be fair but the accuracy of the results is stron& dependent on the quality of the initial wavefunction. in the cas
A semi-mncroscopic theory of optical circular blrefrinpnce (OCB) in abitrary dense optically active bodies is propod, comprising in 3 concise tensorial formalism the electromagnetic multipolar ~olarizabilities of all orders. Besides spatial dispersion of arbitrary order, frequency dispersion 2nd nbs