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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 .
J.A. Dean (ed), Lange's Handbook of Chemistry (15th Edition), McGraw-Hill, 1999; Section 6, Thermodynamic Properties; Table 6.3, Enthalpies and Gibbs Energies of Formation, Entropies, and Heat Capacities of the Elements and Inorganic Compounds
This is the energy per mole necessary to remove electrons from gaseous atoms or atomic ions. The first molar ionization energy applies to the neutral atoms. The second, third, etc., molar ionization energy applies to the further removal of an electron from a singly, doubly, etc., charged ion.
In 1959, Shull and Hall [4] advocated atomic units based on Hartree's model but again chose to use as the defining unit. They explicitly named the distance unit a "Bohr radius"; in addition, they wrote the unit of energy as = / and called it a Hartree. These terms came to be used widely in quantum chemistry.
kT (also written as k B T) is the product of the Boltzmann constant, k (or k B), and the temperature, T.This product is used in physics as a scale factor for energy values in molecular-scale systems (sometimes it is used as a unit of energy), as the rates and frequencies of many processes and phenomena depend not on their energy alone, but on the ratio of that energy and kT, that is, on E ...
J.A. Dean (ed), Lange's Handbook of Chemistry (15th Edition), McGraw-Hill, 1999; Section 6, Thermodynamic Properties; Table 6.4, Heats of Fusion, Vaporization, and Sublimation and Specific Heat at Various Temperatures of the Elements and Inorganic Compounds
The standard Gibbs free energy of formation (G f °) of a compound is the change of Gibbs free energy that accompanies the formation of 1 mole of a substance in its standard state from its constituent elements in their standard states (the most stable form of the element at 1 bar of pressure and the specified temperature, usually 298.15 K or 25 °C).
J.A. Dean (ed.), Lange's Handbook of Chemistry (15th Edition), McGraw-Hill, 1999; Section 6, Thermodynamic Properties; Table 6.4, Heats of Fusion, Vaporization, and Sublimation and Specific Heat at Various Temperatures of the Elements and Inorganic Compounds