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Applicant:
Indian Institute of Technology (IIT) Patna 
Author:
Km Akanksha Dubey, Shweta Agrawal, T. Rajagopala Rao,and Jobin Jose 
Corresponding Authors:
Jobin Jose 
DOI #:
https://doi.org/10.1088/1361-6455/aaf686 
Title:
A theoretical investigation of elastic scattering of H Atom by C60 and Kr@C60  
Journal:
J. Phys. B: At. Mol. Opt. Phys 
Year:
2019 
Volume:
52 
Page:
035203 
Keywords:
elastic scattering, realistic interaction potential, endohedral fullerene, phase bunching, Fano fitted resonances, DFT 
Abstract:
We report an extensive study of cross section, phase shift and time delay for H–Kr@C60 elastic scattering. To demonstrate the effect of encapsulation, we extend this study to H–C60 elastic scattering also. Interaction potential is calculated using density functional theory for the scattering through both hexagonal and pentagonal rings of bare C60 and Kr@C60. The interaction potential for H–C60 is a double-humped barrier. In H–Kr@C60 case, this interaction has an additional huge core repulsive region near the center of C60, which is due to presence of the encapsulated atom. The scattering cross section exhibits glory oscillations and resonances, which are qualitatively different for the scattering through pentagonal and hexagonal rings of C60. The observed resonances arise due to combined effect of centrifugal and C60 potential barrier. We notice bunching of phase shifts for even–even and odd–odd ℓ partial waves in H–C60 scattering, consequently this happens in all measured scattering observables. The presence of the confined atom eliminates this phase bunching; therefore, H–Kr@C60 scattering rather gives wellorganized and sequential placement of resonances in order of ℓ values. 
Entered by:
Venkata Dantham on 2020-08-02 
 
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