scholarly journals Two-dimensional NMR measurement and point dipole model prediction of paramagnetic shift tensors in solids

2015 ◽  
Vol 142 (1) ◽  
pp. 014201 ◽  
Author(s):  
Brennan J. Walder ◽  
Krishna K. Dey ◽  
Michael C. Davis ◽  
Jay H. Baltisberger ◽  
Philip J. Grandinetti
Keyword(s):  
Model Prediction ◽  
Paramagnetic Shift ◽  
Dipole Model ◽  
Point Dipole ◽  
Two Dimensional

Relationship between structure and optical properties of lithium triborate

2007 ◽  
Vol 40 (5) ◽  
pp. 919-923
Author(s):  
J. Etxebarria ◽  
J. Ortega ◽  
C. L. Folcia
Keyword(s):  
Optical Properties ◽  
Second Harmonic ◽  
Optical Rotation ◽  
Slight Modification ◽  
High Accuracy ◽  
Dipole Model ◽  
Crystallographic Structure ◽  
Point Dipole ◽  
Lithium Triborate ◽  
Order Susceptibility

Measurements of the optical rotation of LiB3O5have been carried out using a high-accuracy universal polarimeter in the temperature range 298–503 K. The results have been analyzed within the framework of a point-dipole model for the optical rotation. Though the magnitude of the rotation is very small, its sign has been clearly determined and linked to the crystallographic structure. A slight modification of the point-dipole model also permits an explanation of the values of the second-order susceptibility coefficients for second-harmonic generation.

Hyperpolarizabilities of extended molecular mechanical systems

2016 ◽  
Vol 18 (12) ◽  
pp. 8710-8722 ◽  
Author(s):  
Ignat Harczuk ◽  
Olav Vahtras ◽  
Hans Ågren
Keyword(s):  
Dipole Moments ◽  
Mechanical Systems ◽  
Second Order ◽  
Dipole Model ◽  
Point Dipole ◽  
Induced Dipole

The equations for decomposition of the molecular hyperpolarizabilty into atomic sites is derived alongside with equations to calculate the cluster hyperpolarizability as resulting from the second order induced dipole moments in the point-dipole model.

An application of the point-dipole model to the problem of optical anomalies in grandite garnets

2002 ◽  
Vol 66 (2) ◽  
pp. 275-286 ◽  
Author(s):  
A. G. Shtukenberg ◽  
D. Yu. Popov ◽  
Yu. O. Punin
Keyword(s):  
Crystal Structure ◽  
Site Occupancy ◽  
Dipole Model ◽  
Point Dipole ◽  
Optical Indicatrix ◽  
Good Agreement

AbstractThe origin of anomalous birefringence in grossular-andradite (grandite) garnets is considered. Using the point-dipole model we have calculated the anomalous optical indicatrix for four crystals (three from the paper by Takéuchi et al. (1982) and one studied previously by the present authors). The calculated indicatrix is in good agreement with the observed one. This suggests that the origin of anomalous birefringence in grandite garnets is due to Al/Fe ordering. Interrelations between the observed optical indicatrix, the structure of the growing face, the site occupancy in the crystal structure and the calculated optical indicatrix suggest a growth origin of Fe/Al ordering in grandite garnets and confirm the growth dissymmetrization hypothesis.

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