Rotational Excitation Of Para-NH3 By Para-H2 - IOPscience

Skip to contentJournal of Physics B: Atomic and Molecular PhysicsRotational excitation of para-NH3 by para-H2

G Danby, D R Flower, P Valiron, E Kochanski, L Kurdi and G H F Diercksen

Published under licence by IOP Publishing Ltd Journal of Physics B: Atomic and Molecular Physics, Volume 20, Number 5Citation G Danby et al 1987 J. Phys. B: Atom. Mol. Phys. 20 1039DOI 10.1088/0022-3700/20/5/021

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This article is corrected by 1987 J. Phys. B: Atom. Mol. Phys. 20 3937

Authors

G Danby

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

D R Flower

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

P Valiron

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

E Kochanski

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

L Kurdi

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

G H F Diercksen

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

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Open scienceAuthors

G Danby

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

D R Flower

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

P Valiron

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

E Kochanski

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

L Kurdi

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

G H F Diercksen

AFFILIATIONS

Dept. of Phys., Durham Univ., UK

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0022-3700/20/5/1039

Abstract

Quantum mechanical close-coupling calculations have been performed on rotational energy transfer in collisions of para-ammonia with ground-state (j=0) para-hydrogen. Rate coefficients are given for the temperature range 15<or=T<or=300 K. The calculations employed an ab initio potential energy surface derived from separate determinations of the SCF and dispersion energies. The MOLSCAT computer package was used to perform the scattering calculations. Comparison is made with the results of Billing and Diercksen (1986), who adopted a semi-classical approach as well as a different potential. Conclusions on the accuracy of the potential surface are drawn from comparison with experimental microwave double resonance and pressure broadening work. The extent to which He behaves like ground-state para-H2 in collisions with NH3 is also investigated.

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