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SCF Hartree-Fock calculations of ground state wavefunctions of compressed atoms

Abstract:

SCF Hartree-Fock wavefunctions have been calculated for the ground state configurations of He, Li, Be, B, C, and Ne assuming that the atoms are enclosed within a spherical box with infinite potential walls. The variation of the total energy as a function of the sphere radius R is reported. The effect of compression on orbital energies is discussed. © 1978 American Institute of Physics.

Año de publicación:

1978

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Química teórica
    • Química teórica
    • Física

    Áreas temáticas:

    • Química física

    Contribuidores:

    Eduardo V. LudeñaEduardo V. Ludeña