Dipole, quadrupole, octupole, and dipoleoctupole polarizabilities at real and imaginary frequencies for H, He, and H[sub 2] and the dispersionenergy coefficients for interactions between them
Abstract
The authors have calculated certain dynamic polarizabilities (for both real and imaginary frequencies) for H, He, and H[sub 2] and the dispersionenergy coefficients for longrange interactions between them. This was done so in a sumoverstates formalism with explicitly electroncorrelated wave functions to describe the states. To be precise, the authors have determined the dipole ([alpha][sub 1]), quadrupole ([alpha][sub 2]), and octupole ([alpha][sub 3]) polarizabilities of H and He for real frequencies ([omega]) in a range between zero and the first electronictransition frequency and for imaginary frequencies (i[omega]) on a 32point GaussLegendre grid running from zero to h[omega] = 20 E[sub h], and for H[sub 2], the authors found the dipole ([alpha]), quadrupole (C), and dipoleoctupole (E) polarizability tensors for the same real and imaginary frequencies. The dispersionenergy coefficients, obtained by combining the sumoverstates formalism for the polarizabilities with analytic integration over [omega], gave values of C[sub 6], C[sub 8], and C[sub 10] for the atomatom systems; C[sup 0][sub 6], C[sup 2][sub 6], C[sup 0][sup 8], C[sup 2][sub 8], and C[sup 4][sub 8] for the atomdiatom systems; and C[sub 6], C[sup [prime]][sub 6], and C[sup [double prime]][sub 6] for the H[sub 2]H[sub 2] system. Nearly all the results are considered tomore »
 Authors:

 Univ. of Ottawa (Canada)
 Publication Date:
 OSTI Identifier:
 6138814
 Resource Type:
 Journal Article
 Journal Name:
 International Journal of Quantum Chemistry; (United States)
 Additional Journal Information:
 Journal Volume: 45:4; Journal ID: ISSN 00207608
 Country of Publication:
 United States
 Language:
 English
 Subject:
 74 ATOMIC AND MOLECULAR PHYSICS; HELIUM; POLARIZABILITY; HYDROGEN; INTERACTIONS; MATHEMATICAL MODELS; TENSORS; WAVE FUNCTIONS; ELECTRICAL PROPERTIES; ELEMENTS; FLUIDS; FUNCTIONS; GASES; NONMETALS; PHYSICAL PROPERTIES; RARE GASES; 664100*  Theory of Electronic Structure of Atoms & Molecules (1992)
Citation Formats
Bishop, D M, and Pipin, J. Dipole, quadrupole, octupole, and dipoleoctupole polarizabilities at real and imaginary frequencies for H, He, and H[sub 2] and the dispersionenergy coefficients for interactions between them. United States: N. p., 1993.
Web. doi:10.1002/qua.560450403.
Bishop, D M, & Pipin, J. Dipole, quadrupole, octupole, and dipoleoctupole polarizabilities at real and imaginary frequencies for H, He, and H[sub 2] and the dispersionenergy coefficients for interactions between them. United States. doi:10.1002/qua.560450403.
Bishop, D M, and Pipin, J. Fri .
"Dipole, quadrupole, octupole, and dipoleoctupole polarizabilities at real and imaginary frequencies for H, He, and H[sub 2] and the dispersionenergy coefficients for interactions between them". United States. doi:10.1002/qua.560450403.
@article{osti_6138814,
title = {Dipole, quadrupole, octupole, and dipoleoctupole polarizabilities at real and imaginary frequencies for H, He, and H[sub 2] and the dispersionenergy coefficients for interactions between them},
author = {Bishop, D M and Pipin, J},
abstractNote = {The authors have calculated certain dynamic polarizabilities (for both real and imaginary frequencies) for H, He, and H[sub 2] and the dispersionenergy coefficients for longrange interactions between them. This was done so in a sumoverstates formalism with explicitly electroncorrelated wave functions to describe the states. To be precise, the authors have determined the dipole ([alpha][sub 1]), quadrupole ([alpha][sub 2]), and octupole ([alpha][sub 3]) polarizabilities of H and He for real frequencies ([omega]) in a range between zero and the first electronictransition frequency and for imaginary frequencies (i[omega]) on a 32point GaussLegendre grid running from zero to h[omega] = 20 E[sub h], and for H[sub 2], the authors found the dipole ([alpha]), quadrupole (C), and dipoleoctupole (E) polarizability tensors for the same real and imaginary frequencies. The dispersionenergy coefficients, obtained by combining the sumoverstates formalism for the polarizabilities with analytic integration over [omega], gave values of C[sub 6], C[sub 8], and C[sub 10] for the atomatom systems; C[sup 0][sub 6], C[sup 2][sub 6], C[sup 0][sup 8], C[sup 2][sub 8], and C[sup 4][sub 8] for the atomdiatom systems; and C[sub 6], C[sup [prime]][sub 6], and C[sup [double prime]][sub 6] for the H[sub 2]H[sub 2] system. Nearly all the results are considered to be more reliable than those hitherto published and some have been obtained for the first time, e.g., C(i[omega]), and E(i[omega]) for H[sub 2] and C[sup 0][sub 8] and C[sup 4][sub 8] for the HH[sub 2] system. 9 tabs.},
doi = {10.1002/qua.560450403},
journal = {International Journal of Quantum Chemistry; (United States)},
issn = {00207608},
number = ,
volume = 45:4,
place = {United States},
year = {1993},
month = {1}
}