Difference between revisions of "Hartree"
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| − | The '''hartree''' (symbol: '''''E''<sub>h</sub>'''), also known as the '''Hartree energy''', is the [[atomic unit]] of [[energy]], named after the [[United Kingdom|British]] [[physicist]] [[Douglas Hartree]]. It is defined as the [[electric potential energy]] of the [[hydrogen]] [[atom]] in its [[ground state]], and is equal to 2''R''<sub>∞</sub>''hc''<sub>0</sub>, where ''R''<sub>∞</sub> is the [[Rydberg constant]], ''h'' is the [[Planck constant]] and ''c''<sub>0</sub> is the [[speed of light]]. The 2006 [[CODATA recommended value]] is ''E''<sub>h</sub> = {{nowrap|4.359 743 94(22){{e|−18}} J}} = {{nowrap|27.211 383 86(68) eV}}.<ref>{{CODATA 2006|url=http://physics.nist.gov/cgi-bin/cuu/Value?hr}}.</ref> | + | {{Unit of energy |
| + | | name = hartree | ||
| + | | joule = 4.359 743 94(22){{e|−18}} | ||
| + | | electronvolt = 27.211 383 86(68) | ||
| + | | kJmol = 2612.563 2271(27) | ||
| + | | kcalmol = 624.417 597 29(66) | ||
| + | | kg = 4.850 869 34(24){{e|−35}} | ||
| + | | u = 2.921 262 2986(42){{e|−8}} | ||
| + | | MHz = 6.579 683 920 722(44){{e|9}} | ||
| + | | cm-1 = 219 474.631 3705(15) | ||
| + | | K = 315 774.65(55) | ||
| + | }} | ||
| + | The '''hartree''' (symbol: '''''E''<sub>h</sub>'''), also known as the '''Hartree energy''', is the [[atomic unit]] of [[energy]],<ref>{{GoldBookRef|title=hartree|file=H02747|accessdate=2010-03-28}}. {{GoldBookRef|title=Hartree energy|file=H02748|accessdate=2010-03-28}}.</ref> named after the [[United Kingdom|British]] [[physicist]] [[Douglas Hartree]]. It is defined as the [[electric potential energy]] of the [[hydrogen]] [[atom]] in its [[ground state]], and is equal to 2''R''<sub>∞</sub>''hc''<sub>0</sub>, where ''R''<sub>∞</sub> is the [[Rydberg constant]], ''h'' is the [[Planck constant]] and ''c''<sub>0</sub> is the [[speed of light]]. The 2006 [[CODATA recommended value]] is ''E''<sub>h</sub> = {{nowrap|4.359 743 94(22){{e|−18}} J}} = {{nowrap|27.211 383 86(68) eV}}.<ref>{{CODATA 2006|url=http://physics.nist.gov/cgi-bin/cuu/Value?hr}}.</ref> | ||
| − | The hartree energy is approximately twice the [[ionization energy]] of hydrogen: the relationship is | + | The hartree energy is approximately twice the [[ionization energy]] of hydrogen: the relationship is not exact because the nucleus of the hydrogen atom does not have infinite [[mass]]. However, the relationship ''E''<sub>h</sub> = 2''R''<sub>∞</sub>''hc''<sub>0</sub> is exact, as the effects of non-infinite nuclear mass are already considered in the Rydberg constant (hence the subscript infinity). |
The hartree is usually used as a unit of energy in [[calculational chemistry]]: for experimental measurements at the atomic scale, the [[electronvolt]] (eV) or the [[reciprocal centimetre]] (cm<sup>−1</sup>) are much more widely used. | The hartree is usually used as a unit of energy in [[calculational chemistry]]: for experimental measurements at the atomic scale, the [[electronvolt]] (eV) or the [[reciprocal centimetre]] (cm<sup>−1</sup>) are much more widely used. | ||
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[[Category:Physical constants]] | [[Category:Physical constants]] | ||
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Latest revision as of 08:48, 28 March 2010
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The hartree (symbol: Eh), also known as the Hartree energy, is the atomic unit of energy,[1] named after the British physicist Douglas Hartree. It is defined as the electric potential energy of the hydrogen atom in its ground state, and is equal to 2R∞hc0, where R∞ is the Rydberg constant, h is the Planck constant and c0 is the speed of light. The 2006 CODATA recommended value is Eh = 4.359 743 94(22) × 10−18 J = 27.211 383 86(68) eV.[2]
The hartree energy is approximately twice the ionization energy of hydrogen: the relationship is not exact because the nucleus of the hydrogen atom does not have infinite mass. However, the relationship Eh = 2R∞hc0 is exact, as the effects of non-infinite nuclear mass are already considered in the Rydberg constant (hence the subscript infinity).
The hartree is usually used as a unit of energy in calculational chemistry: for experimental measurements at the atomic scale, the electronvolt (eV) or the reciprocal centimetre (cm−1) are much more widely used.
References
- ↑ hartree, <http://goldbook.iupac.org/H02747.html> (accessed 28 March 2010), Compendium of Chemical Terminology Internet edition; International Union of Pure and Applied Chemistry (IUPAC). Hartree energy, <http://goldbook.iupac.org/H02748.html> (accessed 28 March 2010), Compendium of Chemical Terminology Internet edition; International Union of Pure and Applied Chemistry (IUPAC).
- ↑ Mohr, Peter J.; Taylor, Barry N.; Newell, David B. CODATA Recommended Values of the Fundamental Physical Constants: 2006. Rev. Mod. Phys. 2008, 80 (2), 633–730. doi:10.1103/RevModPhys.80.633, <http://physics.nist.gov/cuu/Constants/codata.pdf>. Direct link to value.
External links
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See also the corresponding article on Wikipedia. |
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