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The first of these quantities is used in atomic physics, the second in chemistry, but both refer to the same basic property of the element. To convert from "value of ionization energy" to the corresponding "value of molar ionization energy", the conversion is: 1 eV = 96.48534 kJ/mol 1 kJ/mol = 0.0103642688 eV [12]
Section 3.8 introduces atomic units and gives a table of atomic units of various physical quantities and the conversion factor to the SI units. Section 7.3(v) gives a concise but clear tutorial on practical use of atomic units, in particular how to understand equations "written in atomic units".
Ionization energy trends plotted against the atomic number, in units eV.The ionization energy gradually increases from the alkali metals to the noble gases.The maximum ionization energy also decreases from the first to the last row in a given column, due to the increasing distance of the valence electron shell from the nucleus.
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A set of base units in the atomic system as in one proposal are the electron rest mass, the magnitude of the electronic charge, the Planck constant, and the permittivity. [6] [9] In the atomic units system, each of these takes the value 1; the corresponding values in the International System of Units [10]: 132 are given in the table.
Because of the relativistic equivalence between mass and energy, the eV is also sometimes used as a unit of mass. The Hartree (the atomic unit of energy) is commonly used in the field of computational chemistry since such units arise directly from the calculation algorithms without any need for conversion. Historically Rydberg units have been used.
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The hartree (symbol: E h), also known as the Hartree energy, is the unit of energy in the atomic units system, named after the British physicist Douglas Hartree.Its CODATA recommended value is E h = 4.359 744 722 2060 (48) × 10 −18 J [1] = 27.211 386 245 981 (30) eV.