Partial Wave Calculation of the Diatomic Molecule (HeH)++
Open Access
- 1 November 1965
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 43 (9) , 3144-3148
- https://doi.org/10.1063/1.1697288
Abstract
The solutions to the Schrödinger equation for the diatomic molecule (HeH)++ in the Born—Oppenheimer approximation have been expanded in a series of partial waves, and radial equations have been derived. These radial equations have been solved numerically for the first three orders of approximation and the energy eigenvalues and wavefunctions have been obtained for seven different Σ states at various values of the internuclear separation. The numerical wavefunctions have been used to calculate dipole transition integrals and dipole moments.Keywords
This publication has 9 references indexed in Scilit:
- Relative Partial Wave Theory of Diatomic MoleculesThe Journal of Chemical Physics, 1963
- Single-centre expansions for the hydrogen molecular ion. IIMathematical Proceedings of the Cambridge Philosophical Society, 1962
- Single-centre Expansions for the Hydrogen Molecular IonMathematical Proceedings of the Cambridge Philosophical Society, 1961
- The Oscillator Strengths of the 1s -2p , 2p -2s , 2p -3d and 2p -2p Transitions of HeH2+Proceedings of the Physical Society. Section A, 1957
- Approximate Molecular Orbitals: VI - The 2p state of HeH2+Proceedings of the Physical Society. Section A, 1957
- The Oscillator Strengths of the 1s -2s , 1s -3d and 2s -3d Transitions of HeH2+Proceedings of the Physical Society. Section A, 1956
- Approximate Molecular Orbitals V: The 1s and 2p states of HeH2+Proceedings of the Physical Society. Section A, 1956
- Exact wave functions of HeH 2+Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1956
- Numerische Berechnung der 2S-Terme von Ortho- und Par-HeliumThe European Physical Journal A, 1930