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  2. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    To see the elongated shape of ψ (x, y, z)2 functions that show probability density more directly, see pictures of d-orbitals below. In quantum mechanics, an atomic orbital (/ ˈɔːrbɪtəl /) is a function describing the location and wave-like behavior of an electron in an atom. [1] This function describes an electron's charge distribution ...

  3. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    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 1s2 2s2 2p6, meaning that the 1s, 2s, and 2p subshells are occupied by ...

  4. Aufbau principle - Wikipedia

    en.wikipedia.org/wiki/Aufbau_principle

    The rule then predicts the electron configuration 1s 2 2s 2 2p 6 3s 2 3p 6 3d 9 4s 2, abbreviated [Ar] 3d 9 4s 2 where [Ar] denotes the configuration of argon, the preceding noble gas. However, the measured electron configuration of the copper atom is [Ar] 3d 10 4s 1. By filling the 3d subshell, copper can be in a lower energy state.

  5. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    Two atomic orbitals in phase create a larger electron density, which leads to the σ orbital. If the two 1s orbitals are not in phase, a node between them causes a jump in energy, the σ* orbital. From the diagram you can deduce the bond order, how many bonds are formed between the two atoms. For this molecule it is equal to one.

  6. Electron shell - Wikipedia

    en.wikipedia.org/wiki/Electron_shell

    For example, the first (K) shell has one subshell, called 1s; the second (L) shell has two subshells, called 2s and 2p; the third shell has 3s, 3p, and 3d; the fourth shell has 4s, 4p, 4d and 4f; the fifth shell has 5s, 5p, 5d, and 5f and can theoretically hold more in the 5g subshell that is not occupied in the ground-state electron ...

  7. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    The qualitative approach of MO analysis uses a molecular orbital diagram to visualize bonding interactions in a molecule. In this type of diagram, the molecular orbitals are represented by horizontal lines; the higher a line the higher the energy of the orbital, and degenerate orbitals are placed on the same level with a space between them.

  8. Radial distribution function - Wikipedia

    en.wikipedia.org/wiki/Radial_distribution_function

    In statistical mechanics, the radial distribution function, (or pair correlation function) in a system of particles (atoms, molecules, colloids, etc.), describes how density varies as a function of distance from a reference particle. If a given particle is taken to be at the origin O, and if is the average number density of particles, then the ...

  9. Electronic band structure - Wikipedia

    en.wikipedia.org/wiki/Electronic_band_structure

    The electrons of a single, isolated atom occupy atomic orbitals with discrete energy levels. If two atoms come close enough so that their atomic orbitals overlap, the electrons can tunnel between the atoms. This tunneling splits the atomic orbitals into molecular orbitals with different energies. [2]: 117–122