The [sigma] sub([upsilon]) reflection symmetry in variational R-matrix theory: Application to Rydberg and doubly-excited states of ... and ... symmetries in diatomic hydrogen

The [sigma] sub([upsilon]) reflection symmetry for diatomic molecules is discussed in the context of variational R-matrix theory applied to the H sub(2) molecule ("halfium model"). It is shown that explicit use of the reflection symmetry in the R-matrix calculations improves the results of...

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Bibliographic Details
Published in:Journal of physics. Conference series 2011-01, Vol.300, p.1-8
Main Authors: Bezzaouia, Soumaya, Argoubi, Fatma, Telmini, Mourad, Jungen, Christian
Format: Article
Language:English
Subjects:
Diatomic molecules
Excitation
Ground state
Mathematical models
Reflection
Symmetry
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Summary:The [sigma] sub([upsilon]) reflection symmetry for diatomic molecules is discussed in the context of variational R-matrix theory applied to the H sub(2) molecule ("halfium model"). It is shown that explicit use of the reflection symmetry in the R-matrix calculations improves the results of singly and doubly excited (ProQuest: Formulae and/or non-USASCII text omitted) states and resonances. R-matrix calculations of non-autoionizing (ProQuest: Formulae and/or non-USASCII text omitted) doubly-excited states of H sub(2) situated 27 eV above the ground state are also presented and compared with existing ab initio data obtained by other methods.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/300/1/012013