The electric quadrupole contribution to the circular birefringence of nonmagnetic anisotropic chiral media: a circular waveguide experiment

1996 ◽  
Vol 44 (8) ◽  
pp. 1451-1459 ◽  
Author(s):  
I.P. Theron ◽  
J.H. Cloete
2010 ◽  
Vol 1 (2) ◽  
pp. 149-155
Author(s):  
Dmitry M. Vavriv ◽  
S. S. Sekretaryov
Keyword(s):  

2017 ◽  
Vol 13 (2) ◽  
pp. 4678-4688
Author(s):  
K. A. Kharroube

We applied two different approaches to investigate the deformation structures of the two nuclei S32 and Ar36 . In the first approach, we considered these nuclei as being deformed and have axes of symmetry. Accordingly, we calculated their moments of inertia by using the concept of the single-particle Schrödinger fluid as functions of the deformation parameter β. In this case we calculated also the electric quadrupole moments of the two nuclei by applying Nilsson model as functions of β. In the second approach, we used a strongly deformed nonaxial single-particle potential, depending on Î² and the nonaxiality parameter γ , to obtain the single-particle energies and wave functions. Accordingly, we calculated the quadrupole moments of S32 and Ar36 by filling the single-particle states corresponding to the ground- and the first excited states of these nuclei. The moments of inertia of S32 and Ar36 are then calculated by applying the nuclear superfluidity model. The obtained results are in good agreement with the corresponding experimental data.


PIERS Online ◽  
2010 ◽  
Vol 6 (4) ◽  
pp. 370-374 ◽  
Author(s):  
Mariana Nikolova Georgieva-Grosse ◽  
Georgi Nikolov Georgiev
Keyword(s):  

2020 ◽  
Author(s):  
Kaihua Zhang ◽  
Ty Balduf ◽  
Marco Caricato

<div> <div> <p> </p><div> <div> <div> <p>This work presents the first simulations of the full optical rotation (OR) tensor at coupled cluster with single and double excitations (CCSD) level in the modified velocity gauge (MVG) formalism. The CCSD-MVG OR tensor is origin independent, and each tensor element can in principle be related directly to experimental measurements on oriented systems. We compare the CCSD results with those from two density functionals, B3LYP and CAM-B3LYP, on a test set of 22 chiral molecules. The results show that the functionals consistently overestimate the CCSD results for the individual tensor components and for the trace (which is related to the isotropic OR), by 10-20% with CAM-B3LYP and 20-30% with B3LYP. The data show that the contribution of the electric dipole-magnetic dipole polarizability tensor to the OR tensor is on average twice as large as that of the electric dipole-electric quadrupole polarizability tensor. The difficult case of (1S,4S)-(–)-norbornenone also reveals that the evaluation of the former polarizability tensor is more sensitive than the latter. We attribute the better agreement of CAM-B3LYP with CCSD to the ability of this functional to better reproduce electron delocalization compared with B3LYP, consistently with previous reports on isotropic OR. The CCSD-MVG approach allows the computation of reference data of the full OR tensor, which may be used to test more computationally efficient approximate methods that can be employed to study realistic models of optically active materials. </p> </div> </div> </div> </div> </div>


Sign in / Sign up

Export Citation Format

Share Document