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  2. Core electron - Wikipedia

    en.wikipedia.org/wiki/Core_electron

    In other words, core charge is an expression of the attractive force experienced by the valence electrons to the core of an atom which takes into account the shielding effect of core electrons. Core charge can be calculated by taking the number of protons in the nucleus minus the number of core electrons, also called inner shell electrons, and ...

  3. Effective nuclear charge - Wikipedia

    en.wikipedia.org/wiki/Effective_nuclear_charge

    The electrons that are closest to the nucleus will 'see' nearly all of them. However, electrons further away are screened from the nucleus by other electrons in between, and feel less electrostatic interaction as a result. The 1s electron of iron (the closest one to the nucleus) sees an effective atomic number (number of protons) of 25. The ...

  4. Slater's rules - Wikipedia

    en.wikipedia.org/wiki/Slater's_rules

    If the group is of the [d] or [f], type, an amount of 1.00 for each electron "closer" to the nucleus than the group. This includes both i) electrons with a smaller principal quantum number than n and ii) electrons with principal quantum number n and a smaller azimuthal quantum number l. In tabular form, the rules are summarized as:

  5. Density functional theory - Wikipedia

    en.wikipedia.org/wiki/Density_functional_theory

    Pseudopotential representing the effective core charge. The physical image of the system with the accurate wavefunction and potential is replaced by a pseudo-wavefunction and a pseudopotential up to a cutoff value. In the image on the right, core electrons and atomic core are considered as the effective core in DFT calculations

  6. Shielding effect - Wikipedia

    en.wikipedia.org/wiki/Shielding_effect

    An electron in the s-sublevel is capable of shielding electrons in the p-sublevel of the same principal energy level. The size of the shielding effect is difficult to calculate precisely due to effects from quantum mechanics. As an approximation, we can estimate the effective nuclear charge on each electron by the following:

  7. Electron configurations of the elements (data page) - Wikipedia

    en.wikipedia.org/wiki/Electron_configurations_of...

    Here [Ne] refers to the core electrons which are the same as for the element neon (Ne), the last noble gas before phosphorus in the periodic table. The valence electrons (here 3s 2 3p 3) are written explicitly for all atoms. Electron configurations of elements beyond hassium (element 108) have never been measured; predictions are used below.

  8. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. [1] For example, the electron configuration of the neon atom is 1s 2 2s 2 2p 6 , meaning that the 1s, 2s, and 2p subshells are occupied by two, two, and six ...

  9. Pseudopotential - Wikipedia

    en.wikipedia.org/wiki/Pseudopotential

    The pseudopotential is an attempt to replace the complicated effects of the motion of the core (i.e. non-valence) electrons of an atom and its nucleus with an effective potential, or pseudopotential, so that the Schrödinger equation contains a modified effective potential term instead of the Coulombic potential term for core electrons normally found in the Schrödinger equation.