Dirac–Hartree–Fock Perturbation Calculation of Magnetic Shielding Using the External Field-Dependent Restricted Magnetic Balance Condition

2010 ◽  
Vol 83 (6) ◽  
pp. 635-642 ◽  
Author(s):  
Satoru Hamaya ◽  
Hiroyuki Fukui
2015 ◽  
Vol 12 (1) ◽  
pp. 204-209
Author(s):  
Baghdad Science Journal

The division partitioning technique has been used to analyze the four electron systems into six-pairs electronic wave functions for ( for the Beryllium atom in its excited state (1s2 2s 3s ) and like ions ( B+1 ,C+2 ) using Hartree-Fock wave functions . The aim of this work is to study atomic scattering form factor f(s) for and nuclear magnetic shielding constant. The results are obtained numerically by using the computer software (Mathcad).


1995 ◽  
Vol 51 (12) ◽  
pp. 7962-7965 ◽  
Author(s):  
P. Leisching ◽  
W. Beck ◽  
H. Kurz ◽  
W. Schäfer ◽  
K. Leo ◽  
...  

1966 ◽  
Vol 44 (2) ◽  
pp. 223-231 ◽  
Author(s):  
T. Yonemoto

The effect of electric interaction of molecular systems on proton magnetic shielding is calculated by a perturbation method, and a general expression of this effect is obtained. It is shown that the effect consists of three parts. Two of them are dependent on the time average of the field at the proton, and correspond to the linear and the square terms of Buckingham's equation of the (external) electric field effect. The third part is proportional to the van der Waals interaction energy between the hydrogen and the interacting object. The magnitude of the former two terms is calculated for a polarized hydrogen atom and a hydrogen molecule. The van der Waals deshielding caused by halogen atoms is also estimated.


2002 ◽  
Vol 378-381 ◽  
pp. 894-898 ◽  
Author(s):  
M.D Sumption ◽  
E.W Collings ◽  
E Lee ◽  
X.L Wang ◽  
S Soltanian ◽  
...  

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