Computation of rovibronic resonances of molecular hydrogen: EF ς g+ 1 inner-well rotational states

Dávid Ferenc, Edit Mátyus

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Selected states of the EFςg+1 electronic manifold of the hydrogen molecule are computed as resonances of the four-body problem. Systematic improvement of the basis representation for the variational treatment is achieved through an energy-tracking optimization procedure. The resulting nonrelativistic energy is converged within a few nano-Hartree, while the predissociative width is found to be negligible at this level of accuracy. The four-particle nonrelativistic energies are appended with relativistic and quantum electrodynamics corrections which close the gap between the experimental observations and earlier theoretical work.

Original languageEnglish
Article number020501
JournalPhysical Review A
Volume100
Issue number2
DOIs
Publication statusPublished - Aug 26 2019

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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