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  2. STO-nG basis sets - Wikipedia

    en.wikipedia.org/wiki/STO-nG_basis_sets

    Thus for the hydrogen atom, only a single 1s orbital is needed, while for a carbon atom, 1s, 2s and three 2p orbitals are needed. The core and valence orbitals are represented by the same number of primitive Gaussian functions . For example, an STO-3G basis set for the 1s, 2s and 2p orbital of the carbon atom are all linear combination of 3 ...

  3. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    The repeating periodicity of blocks of 2, 6, 10, and 14 elements within sections of periodic table arises naturally from total number of electrons that occupy a complete set of s, p, d, and f orbitals, respectively, though for higher values of quantum number n, particularly when the atom bears a positive charge, energies of certain sub-shells ...

  4. Kainosymmetry - Wikipedia

    en.wikipedia.org/wiki/Kainosymmetry

    Kainosymmetry (from Greek καινός "new") describes the first atomic orbital of each azimuthal quantum number (ℓ). Such orbitals include 1s, 2p, 3d, 4f, 5g, and so on. The term kainosymmetric was coined by Sergey Shchukarev . Pekka Pyykkö referred to such orbitals as primogenic instead. [1]

  5. 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.

  6. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    For example, chromium hexacarbonyl can be described as a chromium atom (not ion) surrounded by six carbon monoxide ligands. The electron configuration of the central chromium atom is described as 3d 6 with the six electrons filling the three lower-energy d orbitals between the ligands. The other two d orbitals are at higher energy due to the ...

  7. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    A basis set of orbitals includes those atomic orbitals that are available for molecular orbital interactions, which may be bonding or antibonding; The number of molecular orbitals is equal to the number of atomic orbitals included in the linear expansion or the basis set

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

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

    For each atom the subshells are given first in concise form, then with all subshells written out, followed by the number of electrons per shell. For phosphorus (element 15) as an example, the concise form is [Ne] 3s 2 3p 3.

  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. [4]