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Dipole, quadrupole, octupole, and dipole–dipole–quandrupole polarizabilities and second hyperpolarizabilities at real and imaginary frequencies for helium in the 2 3 S state: Dispersion‐energy coefficients for interactions between He(2 3 S ) and H(1 2 S ), He(1 1 S ), He(2 3 S ), or H 2 (X 1 ∑ g + )
Author(s) -
Bishop David M.,
Pipin Janusz
Publication year - 1993
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560470204
Subject(s) - dipole , atomic physics , quadrupole , chemistry , helium , hyperpolarizability , zero point energy , physics , polarizability , quantum mechanics , molecule , organic chemistry
We have determined the dynamic dipole (α 1 ), quadrupole (α 2 ), octupole (α 3 ), and dipole–dipole–quadrupole (B) polarizabilities and the second hyperpolarizability tensor (γ) for the helium atom in its lowest triplet state (2 3 S ). We have done so for both real and imaginary frequencies: in the former case, for a range of frequencies (ω) between zero and the first electronic‐transition frequency, and in the latter case for a 32‐point Gauss–Legendre grid running from zero to ħω = 20 E h . We have also determined the dispersion‐energy coefficients C 6 , C 8 , and C 10 for the systems H(1 2 S )He(2 3 S ), He(1 1 S )He(2 3 S ), and He(2 3 S )He(2 3 S ) and the C   6 0 , C   6 2 , C   8 0 , C   8 2 , and C   8 4coefficients for the interaction He(2 3 S )H 2 ( X 1 ∑   g + ). Our values of the higher‐order multipolar polarizabilities and of γ for the 2 3 S state of helium are, we believe, the first to be published. © 1993 John Wiley & Sons, Inc.

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