Fock Expansion for Two-Electron Atoms: High-Order Angular Coefficients

The Fock expansion, which describes the properties of two-electron atoms near the nucleus, is studied. The angular Fock coefficients <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>ψ&...

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Main Authors: Evgeny Z. Liverts, Rajmund Krivec
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Atoms
Subjects:
Online Access:https://www.mdpi.com/2218-2004/10/4/135
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author Evgeny Z. Liverts
Rajmund Krivec
author_facet Evgeny Z. Liverts
Rajmund Krivec
author_sort Evgeny Z. Liverts
collection DOAJ
description The Fock expansion, which describes the properties of two-electron atoms near the nucleus, is studied. The angular Fock coefficients <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>ψ</mi><mrow><mi>k</mi><mo>,</mo><mi>p</mi></mrow></msub><mrow><mo>(</mo><mi>α</mi><mo>,</mo><mi>θ</mi><mo>)</mo></mrow></mrow></semantics></math></inline-formula> with the maximum possible value of subscript <i>p</i> are calculated on examples of the coefficients with <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mn>5</mn><mo>≤</mo><mi>k</mi><mo>≤</mo><mn>10</mn></mrow></semantics></math></inline-formula>. The presented technique makes it possible to calculate such angular coefficients for any arbitrarily large <i>k</i>. The mentioned coefficients being leading in the logarithmic power series representing the Fock expansion, they may be indispensable for the development of simple methods for calculating the helium-like electronic structure. The theoretical results obtained are verified by other suitable methods. The Wolfram Mathematica is used extensively.
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spelling doaj.art-effa6b73462146f99c63d3938862844d2023-11-24T13:14:15ZengMDPI AGAtoms2218-20042022-11-0110413510.3390/atoms10040135Fock Expansion for Two-Electron Atoms: High-Order Angular CoefficientsEvgeny Z. Liverts0Rajmund Krivec1Racah Institute of Physics, The Hebrew University, Jerusalem 91904, IsraelDepartment of Theoretical Physics, J. Stefan Institute, 1000 Ljubljana, SloveniaThe Fock expansion, which describes the properties of two-electron atoms near the nucleus, is studied. The angular Fock coefficients <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>ψ</mi><mrow><mi>k</mi><mo>,</mo><mi>p</mi></mrow></msub><mrow><mo>(</mo><mi>α</mi><mo>,</mo><mi>θ</mi><mo>)</mo></mrow></mrow></semantics></math></inline-formula> with the maximum possible value of subscript <i>p</i> are calculated on examples of the coefficients with <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mn>5</mn><mo>≤</mo><mi>k</mi><mo>≤</mo><mn>10</mn></mrow></semantics></math></inline-formula>. The presented technique makes it possible to calculate such angular coefficients for any arbitrarily large <i>k</i>. The mentioned coefficients being leading in the logarithmic power series representing the Fock expansion, they may be indispensable for the development of simple methods for calculating the helium-like electronic structure. The theoretical results obtained are verified by other suitable methods. The Wolfram Mathematica is used extensively.https://www.mdpi.com/2218-2004/10/4/135two-electron atom/ionwave functionFock expansionangular coefficientsWolfram Mathematica
spellingShingle Evgeny Z. Liverts
Rajmund Krivec
Fock Expansion for Two-Electron Atoms: High-Order Angular Coefficients
Atoms
two-electron atom/ion
wave function
Fock expansion
angular coefficients
Wolfram Mathematica
title Fock Expansion for Two-Electron Atoms: High-Order Angular Coefficients
title_full Fock Expansion for Two-Electron Atoms: High-Order Angular Coefficients
title_fullStr Fock Expansion for Two-Electron Atoms: High-Order Angular Coefficients
title_full_unstemmed Fock Expansion for Two-Electron Atoms: High-Order Angular Coefficients
title_short Fock Expansion for Two-Electron Atoms: High-Order Angular Coefficients
title_sort fock expansion for two electron atoms high order angular coefficients
topic two-electron atom/ion
wave function
Fock expansion
angular coefficients
Wolfram Mathematica
url https://www.mdpi.com/2218-2004/10/4/135
work_keys_str_mv AT evgenyzliverts fockexpansionfortwoelectronatomshighorderangularcoefficients
AT rajmundkrivec fockexpansionfortwoelectronatomshighorderangularcoefficients