Spin-orbit coupling in actinide cations

Chemical Physics Letters

Volumn 546, Issue , 2012, Pages 58-62

  Bagus, Paul S ^a   Ilton, Eugene S ^b   Martin, Richard L ^c   Jensen, Hans Jorgen Aa ^d   Knecht, Stefan ^d  

^a UNIVERSITY OF NORTH TEXAS   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ACTINIDE COMPOUND; ACTINIDE MATERIALS; ANGULAR MOMENTUM COUPLING; HIGH SPINS; IONIC CRYSTALS; LIMITING CASE; NOVEL CONCEPT; OPEN-SHELL; SPIN ALIGNMENT; SPIN-ORBIT COUPLINGS; SPIN-ORBIT SPLITTINGS;

TRANSITION METALS;

ALIGNMENT;

EID: 84865787186     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.07.035     Document Type: Article

References (34)

1. J.S. Griffith The Theory of Transition-Metal Ions 1971 Cambridge Press Cambridge
2. L.E. Orgel An Introduction to Transition-Metal Chemistry 1966 John Wiley & Sons New York
3. P.S. Bagus, and E.S. Ilton Phys. Rev. B 73 2006 155110
4. L.P. Spencer Angew. Chem., Int. Ed. 48 2009 3795
5. I.D. Prodan, G.E. Scuseria, and R.L. Martin Phys. Rev. B 76 2007 033101
6. F. Zhou, and V. Ozolins Phys. Rev. B 83 2011 085106
7. H.U. Rahman, and W.A. Runciman J. Phys. Chem. Solids 27 1966 1833
8. L.D. Landau, E. M. Lifshitz, Quantum Mechanics, Addison-Wesley, Reading, 1958.
9. P.S. Bagus Chem. Phys. Lett. 455 2008 331
10. E.U. Condon, and G.H. Shortly The Theory of Atomic Spectra 1951 Cambridge University Press Cambridge
11. K.T. Moore Phys. Rev. Lett. 90 2003 196404
12. G. van der Laan Phys. Rev. Lett. 93 2004 097401
13. K.T. Moore Phys. Rev. Lett. 98 2007 236462
14. J. Thyssen, Ph.D. dissertation, University of Southern Denmark, 2001.
15. L. Visscher Comput. Phys. Commun. 81 1994 120
16. K.G. Dyall, Theor. Chem. Acc. 117 (2007) 491.
17. K.G. Dyall, and K. Faegri Jr. Introduction to Relativistic Quantum Chemistry 2007 New York Oxford
18. DIRAC, a relativistic ab initio electronic structure program, Release DIRAC08 (2008), written by L. Visscher, H. J. Aa. Jensen, and T. Saue, with new contributions from R. Bast, S. Dubillard, K. G. Dyall, U. Ekström, E. Eliav, T. Fleig, A. S. P. Gomes, T. U. Helgaker, J. Henriksson, M. Iliaš, Ch. R. Jacob, S. Knecht, P. Norman, J. Olsen, M. Pernpointner, K. Ruud, P. Sałek, J. Sikkema (see the URL at < http://dirac.chem.sdu.dk >).
19. C.E. Moore, Atomic Energy Levels, Natl. Bur. Stand. No. 467, US GPO, Washington, DC 1952, see also, URL < http://physics.nist.gov/cgi-bin/AtData/ main-asd >.
20. N. W. Ashcroft, N. D. Mermin, Solid State Physics, Holt, Rinehart, and Winston, NY, 1976.
21. J.F. Wyart, V. Kaufman, and J. Sugar Phys. Scr. 22 1980 389
22. B.C. Frazer Phys. Rev. 140 1965 A1448
23. E.S. Ilton, and P.S. Bagus Surf. Sci. 602 2008 1114
24. C.J. Nelin, P.S. Bagus, and M.R. Philpott J. Chem. Phys. 87 1987 2170
25. K.N. Kudin, G.E. Scuseria, and R.L. Martin Phys. Rev. Lett. 89 2002 266402
26. L.E. Roy J. Comput. Chem. 29 2008 2288
27. J.G. Tobin, and S.W. Yu Phys. Rev. Lett. 107 2011 167406
28. S.W. Yu Phys. Rev. B 83 2011 165102
29. P.S. Bagus Phys. Rev. Lett. 84 2000 2259
30. T. Aberg Phys. Rev. 156 1967 35
31. B.D. Hermsmeier Phys. Rev. B 48 1993 12425
32. P.S. Bagus, and E.S. Ilton Theor. Chem. Acc. 118 2007 495
33. E.S. Ilton, and P.S. Bagus Phys. Rev. B 71 2005 195121
34. C. Kittel Introduction to Solid State Physics 1976 John Wiley & Sons New York