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KIAM Preprint № 21, Moscow, 2021
Authors: Freinkman B.G., Polyakov S.V., Tolstov I.O.
Calculation of the ground state of an electron in an inhomogeneous field of a screened carbon ion
Abstract:
This study is related to the development of mathematical methods and numerical algorithms for modeling the local quantum state of the graphene surface on the scale of the lattice spacing. Earlier, to solve this problem, a model of the graphene structure in the form of a lattice of hydrogen-like atoms with screened ions was proposed. However, the screening field was uniform. In this work, it is assumed that the screening field of the ion is inhomogeneous along the radius. The main direction of research was the calculation of the energy of the ground state of an electron in an inhomogeneous field.
Keywords:
mathematical modeling, graphene lattice, hydrogen-like atom, ground state of atom, self-consistent solution of Schrodinger equation
Publication language: russian,  pages: 12
Research direction:
Mathematical modelling in actual problems of science and technics
Russian source text:
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About authors:
  • Freinkman Boris Grigorievich,  orcid.org/0000-0002-8402-0441KIAM RAS
  • Polyakov Sergey Vladimirovich,  orcid.org/0000-0003-1859-9034KIAM RAS
  • Tolstov Ilya Olegovich,  orcid.org/0000-0002-7911-1023KIAM RAS