Exchange coupling in quantum rings and wires in the Wigner-crystal limit

2005 ◽  
Vol 131 ◽  
pp. 217-220
Author(s):  
M. M. Fogler ◽  
E. Pivovarov
2005 ◽  
Vol 131 ◽  
pp. 233-234
Author(s):  
A. D. Klironomos ◽  
R. R. Ramazashvili ◽  
K. A. Matveev

2005 ◽  
Vol 72 (19) ◽  
Author(s):  
A. D. Klironomos ◽  
R. R. Ramazashvili ◽  
K. A. Matveev

2005 ◽  
Vol 18 (1) ◽  
pp. L7-L13 ◽  
Author(s):  
Michael M Fogler ◽  
Eugene Pivovarov

2019 ◽  
Author(s):  
Xianghai Sheng ◽  
Lee Thompson ◽  
Hrant Hratchian

This work evaluates the quality of exchange coupling constant and spin crossover gap calculations using density functional theory corrected by the Approximate Projection model. Results show that improvements using the Approximate Projection model range from modest to significant. This study demonstrates that, at least for the class of systems examined here, spin-projection generally improves the quality of density functional theory calculations of J-coupling constants and spin crossover gaps. Furthermore, it is shown that spin-projection can be important for both geometry optimization and energy evaluations. The Approximate Project model provides an affordable and practical approach for effectively correcting spin-contamination errors in molecular exchange coupling constant and spin crossover gap calculations.


2009 ◽  
Vol 321 (9) ◽  
pp. 1214-1220 ◽  
Author(s):  
M. Marcellini ◽  
M. Pärnaste ◽  
B. Hjörvarsson ◽  
G. Nowak ◽  
H. Zabel

2002 ◽  
Vol 124 (18) ◽  
pp. 5197-5205 ◽  
Author(s):  
Cédric Desplanches ◽  
Eliseo Ruiz ◽  
Antonio Rodríguez-Fortea ◽  
Santiago Alvarez

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