Approximate Molecular Orbitals: VI - The 2pσ state of HeH2+

R McCarroll; B L Moiseiwitsch

doi:10.1088/0370-1298/70/7/305

Proceedings of the Physical Society. Section A

Approximate Molecular Orbitals: VI - The 2pσ state of HeH²⁺

R McCarroll¹ and B L Moiseiwitsch¹

Published under licence by IOP Publishing Ltd
Proceedings of the Physical Society. Section A, Volume 70, Number 7 Citation R McCarroll and B L Moiseiwitsch 1957 Proc. Phys. Soc. A 70 507 DOI 10.1088/0370-1298/70/7/305

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¹ Department of Applied Mathematics, The Queen's University of Belfast

Dates

Received 9 August 1956

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Abstract

Approximate wave functions for the 2pσ state of the HeH²⁺ molecular ion are obtained by the variational method. The values of the electronic total energies and potential energies computed using the approximate wave functions are compared with the exact values of these quantities.

Exact values of the dipole moment are also obtained.

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