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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/13506
Title: Application of relativistic coupled cluster theory to elastic scattering of electrons from confined Ca atoms
Authors: Bharti S.
Sharma, Lalita
Sahoo B.K.
Malkar P.
Srivastava, Rajesh
Published in: Journal of Physics B: Atomic, Molecular and Optical Physics
Abstract: We have developed relativistic coupled-cluster (RCC) theory to study elastic scattering of electrons from free and confined Ca atoms. For this purpose, we first investigated electron correlation effects on the atomic properties of the Ca atom trapped inside an attractive spherically symmetric potential well of an endohedral fullerene C60 cluster and obtained electron correlation energy, ionization potential and dipole polarizability of this atom. Our results are compared with the reported calculations employing multi-configuration Hartree-Fock (MCHF) method. We found that trends in correlation energy with respect to the potential depth are the same, but magnitudes are very large in the relativistic calculations. Finally, using the obtained charge density and phase shift analysis technique we determined the differential and total cross-sections for elastic scattering of electrons from free and confined Ca atoms and demonstrated the role of potential depth in these properties. © 2019 IOP Publishing Ltd.
Citation: Journal of Physics B: Atomic, Molecular and Optical Physics (2019), 52(18): -
URI: https://doi.org/10.1088/1361-6455/ab2b64
http://repository.iitr.ac.in/handle/123456789/13506
Issue Date: 2019
Publisher: Institute of Physics Publishing
Keywords: confined atom
correlation energy
cross sections
dipole polarizabilty
Dirac-Fock method
elastic scattering
relativistic coupled cluster theory
ISSN: 9534075
Author Scopus IDs: 57194378171
14046198100
7003533417
56125805200
7401868829
Author Affiliations: Bharti, S., Department of Physics, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Sharma, L., Department of Physics, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Sahoo, B.K., Atomic, Molecular and Optical Physics Division, Physical Research Laboratory, Navrangpura, Ahmedabad, 380009, India
Malkar, P., Department of Physics, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Srivastava, R., Department of Physics, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Corresponding Author: Sharma, L.; Department of Physics, Indian Institute of Technology RoorkeeIndia; email: lalitfph@iitr.ac.in
Appears in Collections:Journal Publications [PH]

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