A method of calculation of self-consistent atomic potentials for a multicomponent mixture in the relativistic Hartree-Fock-Slater approximation (Q1974729)
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scientific article; zbMATH DE number 1440446
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| English | A method of calculation of self-consistent atomic potentials for a multicomponent mixture in the relativistic Hartree-Fock-Slater approximation |
scientific article; zbMATH DE number 1440446 |
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A method of calculation of self-consistent atomic potentials for a multicomponent mixture in the relativistic Hartree-Fock-Slater approximation (English)
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18 June 2000
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The methods of calculation of the Thomas-Fermi (TF) and Hartree-Fock-Slater (HFS) potentials are developed. In practical calculations a pure element is seldom the case: usually the material or medium under consideration is a multicomponent mixture. An iterative method of calculation of self-consistent potentials on the basis of the relativistic HFS model is proposed for a multicomponent mixture. The number of iteration cycles required to implement the proposed scheme practically does not increase with the number of mixture components.
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Hartree-Fock-Slater
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atomic potential
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model
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iterative method
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approximation
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0.84642136
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