Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors

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An alternative approach for the calculation of the electron-positron (e-p) contribution to magnetic properties based on two-component Breit-Pauli spinors is presented. In it, the elimination of the small component scheme is applied to the inverse propagator matrix of e-p pairs. The effect of the pos...

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Autores principales: Zaccari, D., Melo, J.I., Ruiz De Azúa, M.C., Giribet, C.G.
Formato: JOUR
Materias:
Alternative approaches
Component methods
Geometric approximations
Heavy atoms
Linear response approximations
Nuclear magnetic shielding
Numerical calculations
Numerical values
Propagator matrixes
Relativistic corrections
Small components
Spinors
Two components
Krypton
Magnetic properties
Magnetic shielding
Mathematical operators
Numerical methods
Positrons
Xenon
Electrons
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v130_n8_p_Zaccari
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_00219606_v130_n8_p_Zaccari2023-10-03T14:24:16Z Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors Zaccari, D. Melo, J.I. Ruiz De Azúa, M.C. Giribet, C.G. Alternative approaches Component methods Geometric approximations Heavy atoms Linear response approximations Nuclear magnetic shielding Numerical calculations Numerical values Propagator matrixes Relativistic corrections Small components Spinors Two components Krypton Magnetic properties Magnetic shielding Mathematical operators Numerical methods Positrons Xenon Electrons An alternative approach for the calculation of the electron-positron (e-p) contribution to magnetic properties based on two-component Breit-Pauli spinors is presented. In it, the elimination of the small component scheme is applied to the inverse propagator matrix of e-p pairs. The effect of the positronic manifold is expressed as an operator acting on Breit-Pauli spinors. The operator form thus obtained sums up the relativistic correction as a geometric series and as a result a totally different behavior in the vicinity of a nucleus is obtained as compared to the one of the linear response approximation. This feature has deep influence in numerical values of the e-p contribution to the nuclear magnetic shielding of heavy atoms. Numerical calculations carried out for Kr, Xe, and I show that with this approach, the e-p contributions to this property are in good agreement with those of four-component methods. © 2009 American Institute of Physics. Fil:Zaccari, D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Melo, J.I. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Ruiz De Azúa, M.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Giribet, C.G. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00219606_v130_n8_p_Zaccari
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Alternative approaches
Component methods
Geometric approximations
Heavy atoms
Linear response approximations
Nuclear magnetic shielding
Numerical calculations
Numerical values
Propagator matrixes
Relativistic corrections
Small components
Spinors
Two components
Krypton
Magnetic properties
Magnetic shielding
Mathematical operators
Numerical methods
Positrons
Xenon
Electrons
spellingShingle Alternative approaches
Component methods
Geometric approximations
Heavy atoms
Linear response approximations
Nuclear magnetic shielding
Numerical calculations
Numerical values
Propagator matrixes
Relativistic corrections
Small components
Spinors
Two components
Krypton
Magnetic properties
Magnetic shielding
Mathematical operators
Numerical methods
Positrons
Xenon
Electrons
Zaccari, D.
Melo, J.I.
Ruiz De Azúa, M.C.
Giribet, C.G.
Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors
topic_facet Alternative approaches
Component methods
Geometric approximations
Heavy atoms
Linear response approximations
Nuclear magnetic shielding
Numerical calculations
Numerical values
Propagator matrixes
Relativistic corrections
Small components
Spinors
Two components
Krypton
Magnetic properties
Magnetic shielding
Mathematical operators
Numerical methods
Positrons
Xenon
Electrons
description An alternative approach for the calculation of the electron-positron (e-p) contribution to magnetic properties based on two-component Breit-Pauli spinors is presented. In it, the elimination of the small component scheme is applied to the inverse propagator matrix of e-p pairs. The effect of the positronic manifold is expressed as an operator acting on Breit-Pauli spinors. The operator form thus obtained sums up the relativistic correction as a geometric series and as a result a totally different behavior in the vicinity of a nucleus is obtained as compared to the one of the linear response approximation. This feature has deep influence in numerical values of the e-p contribution to the nuclear magnetic shielding of heavy atoms. Numerical calculations carried out for Kr, Xe, and I show that with this approach, the e-p contributions to this property are in good agreement with those of four-component methods. © 2009 American Institute of Physics.
format JOUR
author Zaccari, D.
Melo, J.I.
Ruiz De Azúa, M.C.
Giribet, C.G.
author_facet Zaccari, D.
Melo, J.I.
Ruiz De Azúa, M.C.
Giribet, C.G.
author_sort Zaccari, D.
title Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors
title_short Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors
title_full Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors
title_fullStr Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors
title_full_unstemmed Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors
title_sort relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of breit-pauli spinors
url http://hdl.handle.net/20.500.12110/paper_00219606_v130_n8_p_Zaccari
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AT meloji relativistictwocomponentgeometricapproximationoftheelectronpositroncontributiontomagneticpropertiesintermsofbreitpaulispinors
AT ruizdeazuamc relativistictwocomponentgeometricapproximationoftheelectronpositroncontributiontomagneticpropertiesintermsofbreitpaulispinors
AT giribetcg relativistictwocomponentgeometricapproximationoftheelectronpositroncontributiontomagneticpropertiesintermsofbreitpaulispinors
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