2518-1092Research result. Information technologies2518-109210.18413/2518-1092-2021-6-1-0-42373INFORMATION SYSTEM AND TECHNOLOGIESCOMPUTER MODELING OF PARAMETERS OF THE ELECTRONIC SHELL OF THE ATOMCOMPUTER MODELING OF PARAMETERS OF THE ELECTRONIC SHELL OF THE ATOMMigalLarisa VladimirovnaMigalLarisa VladimirovnaMigal@bsu.edu.ruBondarevVladimir GeorgiyevichBondarevVladimir GeorgiyevichBondarevaTatyana PavlovnaBondarevaTatyana Pavlovna20216100

In work results of computer modeling of parameters of an electron shell of atom such as orbital radiuses and constants of shielding are presented. It is shown that for atoms with completely filled electronic subshells, the dependence of the orbital radii from the nuclear charge (atomic number) can be described by application of a computing experiment, and to consider the received equations as a basis for extrapolation of data on orbital radiuses on all range of atomic numbers of elements what gives the chance of creation of the full scheme of dependence of orbital radii on charging number of the nucleus and calculation of the average size of atom.

In work results of computer modeling of parameters of an electron shell of atom such as orbital radiuses and constants of shielding are presented. It is shown that for atoms with completely filled electronic subshells, the dependence of the orbital radii from the nuclear charge (atomic number) can be described by application of a computing experiment, and to consider the received equations as a basis for extrapolation of data on orbital radiuses on all range of atomic numbers of elements what gives the chance of creation of the full scheme of dependence of orbital radii on charging number of the nucleus and calculation of the average size of atom.

atomelectronic subshellorbital radiusnuclear chargeconstants of shieldingatomelectronic subshellorbital radiusnuclear chargeconstants of shieldingСписок литературы1. Slater J.C. The self-consistent field method for molecules and solids // New York: McGraw Hill, 1974, Vol. 4. 583 p.2. Godovikov A.A. Orbital radiuses and properties of elements. Novosibirsk: Science, 1977. 156 p. (in Russian)3. Batsanov S.S., Batsanov A.S. Introduction to Structural Chemistry. London: Springer, 2012. 547 p.4. Radtsig A.A., Smirnov B.M. Parameters of atoms and atomic ions. M.: Energoatomizdat, 1986. 344 p. (in Russian)5. Pauling L. The sizes of ions and the structure of ionic crystals // J. Am. Chem. Soc., 1927, Vol. 49. P. 765-790.6. Slater J.C. Quantum theory of molecules and solids // New York: McGraw Hill, 1965. 563 p.7. Ibragimov I.M., Kovshov A.N., Nazarov Yu.F. Bases of computer modeling of nanosystems. SPb.: Lan publishing house, 2010. 384 p. (in Russian)8. Waber J.T., Cromer D.T. Orbital radii of atoms and ions // J. Chem. Phys., 1965, Vol. 42, No.12. P. 4116-4123.9. Boyd R.J. The relative sizes of atoms // J. Phys. B, 1977, Vol. 10, No.2. P. 2223-2228.10. Slater J.C. Atomic shielding constants // Physical Review, 1930, Vol. 36. P. 57-64.11. Robinett R.W. Quantum mechanics classical results, modern systems, and visualized examples. New York: Oxford University Press, 2006. 503 p.12. Ghosh D.C. Biswas R. Theoretical calculation of absolute radii of atoms and ions. Part 1. The atomic radii // Int. J. Mol. Sci., 2002, Vol. 3, No.2. P. 87-113.