Electronic structure and bonding in ThO2 and UO2

V. A. Gubanov; A. Rosén; D. E. Ellis

doi:10.1016/0038-1098(77)90397-0

Electronic structure and bonding in ThO₂ and UO₂

V. A. Gubanov^*, A. Rosén, D. E. Ellis

^*Corresponding author for this work

Physics and Astronomy

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

54 Scopus citations

Abstract

Electron energy levels and charge densities for ThO₂ and UO₂ are calculated in a molecular cluster approximation, using spin unrestricted Hartree-Fock-Slater and relativistic Dirac-Slater models. Results compare favorably with X-ray photoelectron spectra and reveal similarities in chemical bonding with rare earth oxides.

Original language	English (US)
Pages (from-to)	219-223
Number of pages	5
Journal	Solid State Communications
Volume	22
Issue number	4
DOIs	https://doi.org/10.1016/0038-1098(77)90397-0
State	Published - Apr 1977

ASJC Scopus subject areas

Chemistry(all)
Condensed Matter Physics
Materials Chemistry

Access to Document

10.1016/0038-1098(77)90397-0

Cite this

@article{e079f75add474929b99e42f88f702924,

title = "Electronic structure and bonding in ThO2 and UO2",

abstract = "Electron energy levels and charge densities for ThO2 and UO2 are calculated in a molecular cluster approximation, using spin unrestricted Hartree-Fock-Slater and relativistic Dirac-Slater models. Results compare favorably with X-ray photoelectron spectra and reveal similarities in chemical bonding with rare earth oxides.",

author = "Gubanov, {V. A.} and A. Ros{\'e}n and Ellis, {D. E.}",

note = "Funding Information: Acknowledgements — DEE gratefully acknowledges the support of NORDITA and the hospitality of Chalmers SwnievdeirsshitaynodfRTuescshiannolAogcyad.eVmAieGs ocfkSncoiwenlecdegfeosrtshuepport during a visit to Sweden. Thanks should also be given to the Swedish Academy and Chalmers University of Tech-",

year = "1977",

month = apr,

doi = "10.1016/0038-1098(77)90397-0",

language = "English (US)",

volume = "22",

pages = "219--223",

journal = "Solid State Communications",

issn = "0038-1098",

publisher = "Elsevier Limited",

number = "4",

}

TY - JOUR

T1 - Electronic structure and bonding in ThO2 and UO2

AU - Gubanov, V. A.

AU - Rosén, A.

AU - Ellis, D. E.

N1 - Funding Information: Acknowledgements — DEE gratefully acknowledges the support of NORDITA and the hospitality of Chalmers SwnievdeirsshitaynodfRTuescshiannolAogcyad.eVmAieGs ocfkSncoiwenlecdegfeosrtshuepport during a visit to Sweden. Thanks should also be given to the Swedish Academy and Chalmers University of Tech-

PY - 1977/4

Y1 - 1977/4

N2 - Electron energy levels and charge densities for ThO2 and UO2 are calculated in a molecular cluster approximation, using spin unrestricted Hartree-Fock-Slater and relativistic Dirac-Slater models. Results compare favorably with X-ray photoelectron spectra and reveal similarities in chemical bonding with rare earth oxides.

AB - Electron energy levels and charge densities for ThO2 and UO2 are calculated in a molecular cluster approximation, using spin unrestricted Hartree-Fock-Slater and relativistic Dirac-Slater models. Results compare favorably with X-ray photoelectron spectra and reveal similarities in chemical bonding with rare earth oxides.

UR - http://www.scopus.com/inward/record.url?scp=0017482154&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0017482154&partnerID=8YFLogxK

U2 - 10.1016/0038-1098(77)90397-0

DO - 10.1016/0038-1098(77)90397-0

M3 - Article

AN - SCOPUS:0017482154

SN - 0038-1098

VL - 22

SP - 219

EP - 223

JO - Solid State Communications

JF - Solid State Communications

IS - 4

ER -

Electronic structure and bonding in ThO₂ and UO₂

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this