Accurate coupled Hartree-Fock calculations of the electric-field dependence of the proton magnetic shielding in the hydrogen molecule

1978 ◽  
Vol 35 (1) ◽  
pp. 101-110 ◽  
Author(s):  
A.J. Sadlej ◽  
W.T. Raynes
1977 ◽  
Vol 34 (2) ◽  
pp. 593-595 ◽  
Author(s):  
H. Fukui ◽  
Y. Kitamura ◽  
K. Miura

1979 ◽  
Vol 34 (11) ◽  
pp. 1279-1282 ◽  
Author(s):  
M. Žaucer ◽  
A. Ažman

The components of t h e tensors σ(1), σ(2) and χ(1), χ(2) which describe the linear and quadratic electric-field dependences of the nuclear magnetic shielding and susceptibility are computed for H2 and HF molecules using a gauge invariant double finite perturbation SCF approach. This approach is suitable for the discussion of intramolecular and intermolecular environmental effects and the effect of electric-field gradient is pointed out


2015 ◽  
Vol 135 (12) ◽  
pp. 731-736
Author(s):  
Takuma Terakura ◽  
Kei Takano ◽  
Takanori Yasuoka ◽  
Shigekazu Mori ◽  
Osamu Hosokawa ◽  
...  

1985 ◽  
Vol 40 (9) ◽  
pp. 874-876
Author(s):  
Hilmar Bischof ◽  
Wolfram Baumann

Abstract The effect of an external electric field on the total fluorescence of solute molecules is studied up to fourth order theoretically, and is checked experimentally with 4´-N,N-dimethylamino- 4-nitrostilbene in dioxane at room temperature.


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