Relations between Rydberg-valence interactions in the O2 molecule

B. R. Lewis; S. T. Gibson; S. S. Banerjee; H. Lefebvre-Brion

doi:10.1063/1.482035

Relations between Rydberg-valence interactions in the O₂ molecule

B. R. Lewis^*, S. T. Gibson, S. S. Banerjee, H. Lefebvre-Brion

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

22 Citations (Scopus)

Abstract

Rydberg-valence interaction matrix elements in O₂ are derived using a single-configuration formulation. Coupled channel Schrodinger equations (CSE) method is used to analyze these elements. Two types of Rydberg-valence mixing are described in terms of the single-configuration approximation: the configuration of the Rydberg and valence states differ by two orbitals; and the configurations of the Rydberg and valence states differ by only one orbital. In the second case, if the orbitals are solutions of the self-consistent Hamiltonian, the interaction between the states is exactly zero.

Original language	English
Pages (from-to)	2214-2223
Number of pages	10
Journal	Journal of Chemical Physics
Volume	113
Issue number	6
DOIs	https://doi.org/10.1063/1.482035
Publication status	Published - Aug 2000

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abstract = "Rydberg-valence interaction matrix elements in O2 are derived using a single-configuration formulation. Coupled channel Schrodinger equations (CSE) method is used to analyze these elements. Two types of Rydberg-valence mixing are described in terms of the single-configuration approximation: the configuration of the Rydberg and valence states differ by two orbitals; and the configurations of the Rydberg and valence states differ by only one orbital. In the second case, if the orbitals are solutions of the self-consistent Hamiltonian, the interaction between the states is exactly zero.",

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AB - Rydberg-valence interaction matrix elements in O2 are derived using a single-configuration formulation. Coupled channel Schrodinger equations (CSE) method is used to analyze these elements. Two types of Rydberg-valence mixing are described in terms of the single-configuration approximation: the configuration of the Rydberg and valence states differ by two orbitals; and the configurations of the Rydberg and valence states differ by only one orbital. In the second case, if the orbitals are solutions of the self-consistent Hamiltonian, the interaction between the states is exactly zero.

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Relations between Rydberg-valence interactions in the O₂ molecule

Abstract

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