Quasi-Relativistic MS-Xα approach to the electronic structures of protactinium halide ions of [PaX8]<sup>4-</sup> type

Nour, Safouh; Mehadji, Cherifa; Chermette, Henry; Krupa, Jean-Claude

doi:10.1002/qua.560410305

Scientific article

English

Quasi-Relativistic MS-Xα approach to the electronic structures of protactinium halide ions of [PaX8]^4- type

ContributorsNour, Safouh; Mehadji, Cherifa; Chermette, Henry; Krupa, Jean-Claude

Published inInternational Journal of Quantum Chemistry, vol. 41, no. 3, p. 421-435

Publication date1992

Abstract

The recently developed inclusion of the spin‐orbit interaction into the quasi‐relativistic version of the MSXα method has been applied to the ThX4:Pa4+ (X ≡ Cl, Br) doped system. A new interpretation of the optical spectrum is given.

Affiliation entities

Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

Citation (ISO format)

NOUR, Safouh et al. Quasi-Relativistic MS-Xα approach to the electronic structures of protactinium halide ions of [PaX8]^4- type. In: International Journal of Quantum Chemistry, 1992, vol. 41, n° 3, p. 421–435. doi: 10.1002/qua.560410305

Article (Published version)

Identifiers

PID : unige:121592
DOI : 10.1002/qua.560410305

Additional URL for this publicationhttp://doi.wiley.com/10.1002/qua.560410305

Journal ISSN0020-7608

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Quasi-Relativistic MS-Xα approach to the electronic structures of protactinium halide ions of [PaX8]4- type

The recently developed inclusion of the spin‐orbit interaction into the quasi‐relativistic version of the MSXα method has been applied to the ThX4:Pa4+ (X ≡ Cl, Br) doped system. A new interpretation of the optical spectrum is given.

Technical informations

Quasi-Relativistic MS-Xα approach to the electronic structures of protactinium halide ions of [PaX8]^4- type