1958Molecular PhysicsRequires access

Open shell calculations for the two- and three-electron ions

R. P. Hurst, John D. Gray, GEORGE H. BRIGMAN, Frederick A. Matsen IV

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Abstract

Open shell calculations are made for all the three-electron atomic systems of the second period of the periodic table. These results are compared with corresponding two-electron and experimental energies. It is noted that the improvement of open shell over closed shell calculations becomes less with increasing atomic number. In parallel trend the disparity of both from the experimental results increases with Z. An electron affinity of zero is found for the helium atom.

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What this paper is about

Open shell calculations are made for all the three-electron atomic systems of the second period of the periodic table. These results are compared with corresponding two-electron and experimental energies. It is noted that the improvement of open shell over closed shell calculations becomes less with increasing atomic number. In parallel trend the disparity of both from the experimental results increases with Z. An electron affinity of zero is found for the helium atom.

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Available abstract

Open shell calculations are made for all the three-electron atomic systems of the second period of the periodic table. These results are compared with corresponding two-electron and experimental energies. It is noted that the improvement of open shell over closed shell calculations becomes less with increasing atomic number. In parallel trend the disparity of both from the experimental results increases with Z. An electron affinity of zero is found for the helium atom.

Key concepts: Open shell, Physics, Electron shell, Shell (structure), Atomic physics, Chemistry, Ion, Materials science

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