scholarly journals Self-interaction-corrected Kohn–Sham effective potentials using the density-consistent effective potential method

2021 ◽  
Vol 155 (6) ◽  
pp. 064109
Author(s):  
Carlos M. Diaz ◽  
Luis Basurto ◽  
Santosh Adhikari ◽  
Yoh Yamamoto ◽  
Adrienn Ruzsinszky ◽  
...  
Keyword(s):  
Effective Potential ◽  
Potential Method ◽  
Effective Potentials

Calculation of Pairwise Effective Potentials in the Disordered Ni-22.5at.%Fe Alloy Using Model Potential Method with Account of Size Effect

2021 ◽  
Vol 323 ◽  
pp. 125-129
Author(s):  
Valentin Silonov ◽  
Lkhamsuren Enkhtor
Keyword(s):  
Size Effect ◽  
Short Range ◽  
Short Range Order ◽  
Potential Method ◽  
Model Potential ◽  
Order Parameters ◽  
Range Order ◽  
Disorder Phase Transition ◽  
Effective Potentials ◽  
Atomic Displacements

Pairwise effective potentials in first seventeen shells of the Ni-22.5at.%Fe alloy are calculated using model potential method with account of the linear size effect. Using obtained values of pairwise effective potentials, the short range order parameters on the first seventeen shells of alloy are calculated by Krivoglaz-Clapp-Moss method. The calculated values ​​of the short-range order parameters were fitted to the experimental values ​​by varying the parameters of static atomic displacements. Reliable value of critical temperature of order-disorder phase transition in Ni-22.5at.%Fe alloy was calculated using obtained meanings of pairwise effective potentials.

An Extended Effective Potential Method with Topological Phase of Spin Tunnelling

2002 ◽  
Vol 19 (10) ◽  
pp. 1525-1527 ◽  
Author(s):  
Kou Su-Peng ◽  
Lü Rong ◽  
Liang Jiu-Qing
Keyword(s):  
Effective Potential ◽  
Potential Method ◽  
Topological Phase
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