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Atomic units

  1. May 22, 2012 #1
    I need the electron volt in atomic units (mainly because I need "atomic unit" temperature).
    I believe that one atomic unit of temperature is eV (electron volts) / kB (Boltzmann's constant). So I know that the elementary charge e = 1 = h-bar.

    How do i get eV, temp, Boltmann's constant, length, time, and energy in this form of units? PLEASE don't post the wikipedia article, that won't help. I'd really appreciate an answer with numerical values, thanks.
     
  2. jcsd
  3. May 23, 2012 #2

    cgk

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    Science Advisor

    In the "atomic units" used in chemistry, the atomic energy unit is 1 a.u. [Energy] = 1 Hartree. A Hartree is two Rydbergs, so 1 a.u. [Energy] = 2 * 13.605... eV.

    What is the problem with the Wikipedia article? E.g. from the tables in
    http://en.wikipedia.org/wiki/Atomic_units
    you could have read off the same thing. Similarly, taking from the table,
    1 a.u. [Length] = 1 BohrRadius = 0.5291...×10^{-10} m
    or
    1 a.u. [Temperature] = 3.1577...×10^{5} K
     
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