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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 ...
The electronic structure of an atom or molecule is the quantum state of its electrons. [13] The first step in solving a quantum chemical problem is usually solving the Schrödinger equation (or Dirac equation in relativistic quantum chemistry) with the electronic molecular Hamiltonian, usually making use of the Born–Oppenheimer (B–O ...
The Kohn–Sham electronic structure must not be confused with the real, quasiparticle electronic structure of a system, and there is no Koopmans' theorem holding for Kohn–Sham energies, as there is for Hartree–Fock energies, which can be truly considered as an approximation for quasiparticle energies. Hence, in principle, Kohn–Sham based ...
In graphs of the electronic band structure of solids, the band gap refers to the energy difference (often expressed in electronvolts) between the top of the valence band and the bottom of the conduction band in insulators and semiconductors. It is the energy required to promote an electron from the valence band to the conduction band.
Lewis structure of a water molecule. Lewis structures – also called Lewis dot formulas, Lewis dot structures, electron dot structures, or Lewis electron dot structures (LEDs) – are diagrams that show the bonding between atoms of a molecule, as well as the lone pairs of electrons that may exist in the molecule.
Phosphorus pentoxide chemical structure in 2D. A chemical structure of a molecule is a spatial arrangement of its atoms and their chemical bonds. Its determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid.
The electron, on the other hand, is thought to be stable on theoretical grounds: the electron is the least massive particle with non-zero electric charge, so its decay would violate charge conservation. [97] The experimental lower bound for the electron's mean lifetime is 6.6 × 10 28 years, at a 90% confidence level. [9] [98] [99]
In chemistry, primarily organic and computational chemistry, a stereoelectronic effect [1] is an effect on molecular geometry, reactivity, or physical properties due to spatial relationships in the molecules' electronic structure, in particular the interaction between atomic and/or molecular orbitals. [2]