High-order multipolar hyperpolarizabilities with imaginary frequency for H and He

Journal Article · Mon Jul 15 00:00:00 EDT 1996 · International Journal of Quantum Chemistry

DOI:https://doi.org/10.1002/(SICI)1097-461X(1996)59:2<103::AID-QUA2>3.0.CO;2-1· OSTI ID:458702

Bishop, D M; Pipin, J ^[1]

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1. Univ. of Ottawa, Ontario (Canada)

Calculations are reported of X{sub zz,zz,z,z}{sup 3}({minus}i{omega}; i{omega}, 0,0), X{sub zz,zz,x,x}{sup 3} ({minus}i{omega}; i{omega}; 0,0), X{sub zzz,z,z,z}{sup 3}({minus}i{omega}; i{omega},0,0), X{sub zz,z,z,z,z}{sup 4}({minus}i{omega}; i{omega}, 0,0,0), and X{sub zz,x,x,z,z}{sup 4}({minus}i{omega}; i{omega}, 0,0,0) for H and He. These are the independent components of the atomic (quadrupole){sup 2}-(dipole){sup 2}, (octupole)-(dipole){sup 3}, and (quadrupole)-(dipole){sup 4} hyperpolarizability tensors for an imaginary frequency i{omega}. The first three quantities have been used for the determination of the R{sup {minus}8} dispersion contribution to the H-H, H-He, and He-He collision-induced pair polarizability functions. The last two quantities will be needed in future calculations of the leading order (R{sup {minus}7}) dispersion contributions to the collision-induced first hyperpolarizability ({beta}) for the H-He pair. The calculations were based on sum-over-states formulations with near-exact wave functions for H and highly accurate explicitly electron-correlated wave functions for He. For this reason the authors believe them to be of benchmark quality. 8 refs., 3 tabs.

• OSTI ID: 458702
• Journal Information: International Journal of Quantum Chemistry, Journal Name: International Journal of Quantum Chemistry Journal Issue: 2 Vol. 59; ISSN IJQCB2; ISSN 0020-7608
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
ATOM-ATOM COLLISIONS
HELIUM
HYDROGEN
MATHEMATICAL MODELS
POLARIZABILITY
WAVE FUNCTIONS