Electronic spectra of DyF studied by four-component relativistic configuration interaction methods.

Abstract

The electronic states of the DyF molecule below 3.0 eV are studied using 4-component relativistic CI methods. Spinors generated by the average-of-configuration Hartree-Fock method with the Dirac-Coulomb Hamiltonian were used in CI calculations by the KRCI (Kramers-restricted configuration interaction) program. The CI reference space was generated by… (More)
DOI: 10.1063/1.4913631

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