### Abstract

Calculations are reported of the mean polarizability Δα + ̄ and the mean second hyperpolarizability Δγ + ̄ which emanate from the interaction between two helium atoms. The results are based on three levels of calculation (SCF, MP2 and MP4) and for a wide range of interparticle separations. The values of Δα + ̄ and Δγ + ̄, after correction for basis set superposition error, are used (a) to discuss long-range dispersion and dipole-induced-dipole effects, and (b) to assess the approximate formulas for these effects which have been obtained from perturbation theory as opposed to the present 'supermolecular' calculations. The results are used also to determine the second dielectric virial coefficient and the second virial coefficient of the second hyperpolarizability; these are found to be -0·0614cm^{6} mol^{-2} and -1·41 cm^{3} mol^{-1}, respectively.

Original language | English |
---|---|

Pages (from-to) | 887-898 |

Number of pages | 12 |

Journal | Molecular Physics |

Volume | 88 |

Issue number | 4 |

Publication status | Published - Jul 1996 |

### Fingerprint

### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics

### Cite this

*Molecular Physics*,

*88*(4), 887-898.

**The interaction polarizability and interaction second-hyperpolarizability for He⋯He.** / Bishop, David M.; Dupuis, Michel.

Research output: Contribution to journal › Article

*Molecular Physics*, vol. 88, no. 4, pp. 887-898.

}

TY - JOUR

T1 - The interaction polarizability and interaction second-hyperpolarizability for He⋯He

AU - Bishop, David M.

AU - Dupuis, Michel

PY - 1996/7

Y1 - 1996/7

N2 - Calculations are reported of the mean polarizability Δα + ̄ and the mean second hyperpolarizability Δγ + ̄ which emanate from the interaction between two helium atoms. The results are based on three levels of calculation (SCF, MP2 and MP4) and for a wide range of interparticle separations. The values of Δα + ̄ and Δγ + ̄, after correction for basis set superposition error, are used (a) to discuss long-range dispersion and dipole-induced-dipole effects, and (b) to assess the approximate formulas for these effects which have been obtained from perturbation theory as opposed to the present 'supermolecular' calculations. The results are used also to determine the second dielectric virial coefficient and the second virial coefficient of the second hyperpolarizability; these are found to be -0·0614cm6 mol-2 and -1·41 cm3 mol-1, respectively.

AB - Calculations are reported of the mean polarizability Δα + ̄ and the mean second hyperpolarizability Δγ + ̄ which emanate from the interaction between two helium atoms. The results are based on three levels of calculation (SCF, MP2 and MP4) and for a wide range of interparticle separations. The values of Δα + ̄ and Δγ + ̄, after correction for basis set superposition error, are used (a) to discuss long-range dispersion and dipole-induced-dipole effects, and (b) to assess the approximate formulas for these effects which have been obtained from perturbation theory as opposed to the present 'supermolecular' calculations. The results are used also to determine the second dielectric virial coefficient and the second virial coefficient of the second hyperpolarizability; these are found to be -0·0614cm6 mol-2 and -1·41 cm3 mol-1, respectively.

UR - http://www.scopus.com/inward/record.url?scp=0000655670&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000655670&partnerID=8YFLogxK

M3 - Article

VL - 88

SP - 887

EP - 898

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 4

ER -