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hydrogenic_shell_elfs

Function hydrogenic_shell_elfs 

Source
pub fn hydrogenic_shell_elfs(
    material: &str,
    table: &SubshellBindingTable,
    shells: &[(u8, Subshell, f64)],
    grid: ShellElfGrid,
) -> Result<Vec<(InnerShell, OpticalElf)>, ElectronDataError>
Expand description

hydrogenic_shell_elf for several shells of a target material, each given as (Z, subshell, atoms of that element per m³) and kept in the given order. For a compound with N molecules per m³ and ν_j atoms of element j per molecule, the density of element j is ν_j N (dV2022 eq. (2)).