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  2. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    Electron atomic and molecular orbitals. The chart of orbitals (left) is arranged by increasing energy (see Madelung rule). Atomic orbits are functions of three variables (two angles, and the distance r from the nucleus). These images are faithful to the angular component of the orbital, but not entirely representative of the orbital as a whole.

  3. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The sign of the phase itself does not have physical meaning except when mixing orbitals to form molecular orbitals. Two same-sign orbitals have a constructive overlap forming a molecular orbital with the bulk of the electron density located between the two nuclei. This MO is called the bonding orbital and its energy is lower than that of the ...

  4. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    4. Combine SALCs of the same symmetry type from the two fragments, and from N SALCs form N molecular orbitals. 5. Estimate the relative energies of the molecular orbitals from considerations of overlap and relative energies of the parent orbitals, and draw the levels on a molecular orbital energy level diagram (showing the origin of the ...

  5. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    Electron atomic and molecular orbitals A Bohr diagram of lithium. 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]

  6. Electron shell - Wikipedia

    en.wikipedia.org/wiki/Electron_shell

    In chemistry and atomic physics, an electron shell may be thought of as an orbit that electrons follow around an atom's nucleus.The closest shell to the nucleus is called the "1 shell" (also called the "K shell"), followed by the "2 shell" (or "L shell"), then the "3 shell" (or "M shell"), and so on further and further from the nucleus.

  7. Molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Molecular_geometry

    When atoms interact to form a chemical bond, the atomic orbitals of each atom are said to combine in a process called orbital hybridisation. The two most common types of bonds are sigma bonds (usually formed by hybrid orbitals) and pi bonds (formed by unhybridized p orbitals for atoms of main group elements ).

  8. Complete active space - Wikipedia

    en.wikipedia.org/wiki/Complete_active_space

    In quantum chemistry, a complete active space is a type of classification of molecular orbitals. Spatial orbitals are classified as belonging to three classes: core, always hold two electrons; active, partially occupied orbitals; virtual, always hold zero electrons

  9. Spectroscopic notation - Wikipedia

    en.wikipedia.org/wiki/Spectroscopic_notation

    This notation is used to specify electron configurations and to create the term symbol for the electron states in a multi-electron atom. When writing a term symbol, the above scheme for a single electron's orbital quantum number is applied to the total orbital angular momentum associated to an electron state.