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This package extends the Unitful.jl package to facilitate working with atomic units.


This package provides three functions that enable easy conversion from and to Hartree atomic units:

  • aunit(x) returns the appropriate atomic unit for x, where x can be a Unitful.Quantity, Unitful.Units, or Unitful.Dimensions:
    julia> aunit(2.3u"cm")
    julia> aunit(u"T")
    ħ a₀^-2 e^-1
  • auconvert can be used to convert from and to atomic units. It has two methods:
    • auconvert(x::Unitful.Quantity) converts a quantity to the appropriate atomic unit:
      julia> auconvert(13.6u"eV")
      0.499790781587053 Eₕ
      julia> auconvert(20u"nm")
      377.94522492515404 a₀
    • auconvert(u::Unitful.Units, x::Number) interprets x as a quantity in atomic units and converts it to the unit u:
      julia> auconvert(u"eV", 1)  # convert 1 Eₕ to eV
      27.211386246088992 eV
      julia> auconvert(u"m", 1)   # convert 1 a₀ to m
      5.29177210903e-11 m
  • austrip(x::Unitful.Quantity) converts a quantity to the appropriate atomic unit and then strips the units. This is equivalent to Unitful.ustrip(auconvert(x)):
    julia> austrip(13.6u"eV")
    julia> austrip(20u"nm")

Defined units

The package defines the following atomic units (suffixed with _au), from which all other atomic units are derived:

Furthermore, this package defines some units that are not atomic units, but are common in atomic physics:

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