ChemInform Abstract: Regular [Ti6]6- Cluster in Cs4Tl2O Exhibiting Closed-Shell Configuration and Energetic Stabilization due to Relativistic Spin-Orbit Coupling.

ChemInform ◽  
2011 ◽  
Vol 42 (22) ◽  
pp. no-no
Author(s):  
Vyacheslav Saltykov ◽  
Juergen Nuss ◽  
Ulrich Wedig ◽  
Martin Jansen
Keyword(s):  
Closed Shell ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Relativistic Spin

Symmetry exploitation in closed-shell coupled-cluster theory with spin-orbit coupling

2011 ◽  
Vol 135 (3) ◽  
pp. 034115 ◽  
Author(s):  
Zheyan Tu ◽  
Dong-Dong Yang ◽  
Fan Wang ◽  
Jingwei Guo
Keyword(s):  
Closed Shell ◽  
Orbit Coupling ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupled Cluster Theory ◽  
Cluster Theory

Closed-shell coupled-cluster theory with spin-orbit coupling

2008 ◽  
Vol 129 (6) ◽  
pp. 064113 ◽  
Author(s):  
Fan Wang ◽  
Jürgen Gauss ◽  
Christoph van Wüllen
Keyword(s):  
Closed Shell ◽  
Orbit Coupling ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupled Cluster Theory ◽  
Cluster Theory

Relativistic Spin−Orbit Coupling Effects on Secondary Isotope Shifts of13C Nuclear Shielding in CX2(X = O, S, Se, Te)

2002 ◽  
Vol 124 (11) ◽  
pp. 2762-2771 ◽  
Author(s):  
Perttu Lantto ◽  
Juha Vaara ◽  
Anu M. Kantola ◽  
Ville-Veikko Telkki ◽  
Bernd Schimmelpfennig ◽  
...  
Keyword(s):  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Effects ◽  
Isotope Shifts ◽  
Relativistic Spin ◽  
Nuclear Shielding

scholarly journals NovelJeff=1/2Mott State Induced by Relativistic Spin-Orbit Coupling inSr2IrO4

2008 ◽  
Vol 101 (7) ◽  
Author(s):  
B. J. Kim ◽  
Hosub Jin ◽  
S. J. Moon ◽  
J.-Y. Kim ◽  
B.-G. Park ◽  
...  
Keyword(s):  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Relativistic Spin

scholarly journals An ab initio investigation on the electronic structure, defect energetics, and magnesium kinetics in Mg3Bi2

2018 ◽  
Vol 6 (35) ◽  
pp. 16983-16991 ◽  
Author(s):  
Jeongjae Lee ◽  
Bartomeu Monserrat ◽  
Ieuan D. Seymour ◽  
Zigeng Liu ◽  
Siân E. Dutton ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Crucial Role ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Structure Defect ◽  
Ion Conduction ◽  
Relativistic Spin

We show that vacancy creation and relativistic spin–orbit coupling play a crucial role in promoting fast Mg-ion conduction of Mg3Bi2.

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