hyperfine coupling constants
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Characterization of the negatively charged NV defect through the spin density distribution and the hyperfine coupling constants

2021 ◽  
pp. 110506
Author(s):  
Anna M. Ferrari ◽  
Khaled E. El-Kelany ◽  
Francesco S. Gentile ◽  
Maddalena D'Amore ◽  
Eleonora Romeo ◽  
...  
Keyword(s):  
Density Distribution ◽  
Spin Density ◽  
Hyperfine Coupling ◽  
Spin Density Distribution ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants

The effect of charge and spin state on the Infrared spectra and hyperfine coupling constants of point defects in Silicon

2021 ◽  
pp. 413499
Author(s):  
Alexander Platonenko ◽  
Fabien Pascale ◽  
Khaled E. El-Kelany ◽  
Francesco Silvio Gentile ◽  
Roberto Dovesi
Keyword(s):  
Spin State ◽  
Point Defects ◽  
Infrared Spectra ◽  
Hyperfine Coupling ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants

scholarly journals Comparison of Density Functional and Correlated Wave Function Methods for the Prediction of Cu(II) Hyperfine Coupling Constants

ChemPhysChem ◽  
2020 ◽  
Vol 21 (24) ◽  
pp. 2667-2679
Author(s):  
Rogelio J. Gómez‐Piñeiro ◽  
Dimitrios A. Pantazis ◽  
Maylis Orio
Keyword(s):  
Wave Function ◽  
Density Functional ◽  
Hyperfine Coupling ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants
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