Codata

Object to hold the natural constants from CODATA. It is best created with the function castCodata

The fields are:

• .∆νCs: Cs hyperfine transition frequency (::Value)
• .c: speed of light in vacuum (::Value)
• .h: Planck constant (::Value)
• .ħ: Planck constant - reduced (::Value)
• .e: elementary charge (::Value)
• .kB: Boltzmann constant (::Value)
• .NA: Avogadro constant (::Value)
• .Kcd: Luminous efficacy (::Value)
• .me: electron rest mass (::Value)
• .R∞: Rydberg constant (::Value)
• .Ry: Rydberg frequency (::Value)
• .Eh: Hartree a.u. (::Value)
• .α: fine-structure constant (::Value)
• .μ0: magnetic permitivity of vacuum (::Value)
• .ε0: electric permitivity of vacuum (::Value)
• .KJ: Josephson constant (::Value)
• .RK: Von Klitzing constant (::Value)
• .R: Molar gas constant (::Value)
• .u: unified atomic mass unit (::Value)
• .matE: unit conversion matrix (Matrix{Float64})

Example:

julia> codata = castCodata(2022);

julia> codata.μ0
Value(1.2566370612696005e-6, "N A⁻²")

julia> codata.μ0.val
1.2566370612696005e-6

castCodata(year::Int)

Method to create the Codata object

Example:

julia> codata = castCodata(2022);

julia> strValue.([codata.∆νCs,codata.c,codata.h])
3-element Vector{String}:
 "9192631770 Hz"
 "299792458 m s⁻¹"
 "6.62607e-34 J Hz⁻¹"

listCodata(codata::Codata)

Method to list the fields of Codata by their symbolic name

Example:

julia> julia> codata = castCodata(2018);

julia> listCodata(codata)
∆νCs = 9192631770 Hz      - ¹³³Cs hyperfine transition frequency
   c = 299792458 m s⁻¹    - speed of light in vacuum
   h = 6.62607e-34 J Hz⁻¹ - Planck constant
   ħ = 1.05457e-34 J s    - Planck constant (reduced)
   e = 1.60218e-19 C      - elementary charge
  kB = 1.38065e-23 J K⁻¹  - Boltzmann constant
  NA = 6.02214e23 mol⁻¹   - Avogadro constant
 Kcd = 683 lm W⁻¹         - Luminous efficacy
  mₑ = 9.10938e-31 kg     - electron mass
  mₚ = 1.67262e-27 kg     - proton mass
  R∞ = 1.09737e7 m⁻¹      - Rydberg constant
  Ry = 3.28984e15 Hz      - Rydberg frequency
  Eₕ = 4.35974e-18 J      - Hartree atomic unit
   α = 0.00729735         - fine-structure constant
  a0 = 5.29177e-11 m      - Bohr radius
  μB = 9.27401e-24 J T⁻¹  - Bohr magneton
  μN = 5.05078e-27 J T⁻¹  - nuclear magneton
  μ₀ = 1.25664e-6 N A⁻²   - magnetic permitivity of vacuum
  ε₀ = 8.85419e-12 F m⁻¹  - electric permitivity of vacuum
  KJ = 4.83598e14 Hz V⁻¹  - Josephson constant
  RK = 25812.8 Ω          - Von Klitzing constant
   R = 8.31446 J mol⁻¹K⁻¹ - Molar gas constant
   u = 1.66054e-27 kg     - unified atomic mass unit

Value(val::Real, unit::String)

Object to hold a real numerical value together with a unit specifier.

The fields are:

• .val: numerical value (::Real)
• .unit: unit specifier (::String)

Example:

julia> f = Value(1,"Hz")
Value(1, "Hz")

julia> f.val
1

julia> f.unit
"Hz"

strValue(f::Value)

String expression for a Value object in :compact => true representation

Example:

julia> f = Value(1,"Hz")
Value(1, "Hz")

julia> strValue(f)
"1 Hz"

NamedValue(val::Value, name::String, comment::String)

Object to hold a Value together with its symbolic name and a short description

The fields are:

• .val: Value (::Value)
• .name: symbolic name (::String)
• .comment: description (::String)

Named Value object The object NamedValue is best created using castNamedValue.

Example:

julia> f = Value(1,"Hz")
Value(1, "Hz")

julia> f = castNamedValue(f, name="frequency", comment="comment")
NamedValue(Value(1, "Hz"), "frequency", "comment")

julia> f.name
"frequency"

castNamedValue(val::Value; name=" ", comment=" ")

Method to create a NamedValue object

Example

julia> v = Value(1.602176634e-19, "C");

julia> nv = castNamedValue(v; name="e");

julia> nv.name * " = " * strValue(nv.val)
"e = 1.60218e-19 C"

convertUnit(val, codata; unitIn="Hartree", unitOut="xHz")

Unit conversion between μHz,⋯ EHz, Hartree, Rydberg, J eV, cm-1, m-1, K, mK μK

default input: Hartree

default output: xHz ∈ {μHz, mHz, Hz, kHz, MHz, GHz, THz, PHz, EHz}

Example:

julia> codata = castCodata(2018);
julia> convertUnit(1, codata; unitIn="Hz", unitOut="J")
Value(6.62607015e-34, "J")

julia> convertUnit(1, codata; unitIn="Hartree", unitOut="Hz")
Value(6.579683920501762e15, "Hz")

julia> f = convertUnit(1, codata) # default input (Hartree) and output (xHz);
julia> strf = strValue(f)
"6.57968 PHz"

calibrationReport(E, Ecal, codata::Codata; unitIn="Hartree", msg=true)

Comparison of energy E with calibration value Ecal

default input: Hartree

Example:

julia> codata = castCodata(2022)
julia> calibrationReport(1.1, 1.0, codata; unitIn="Hartree")

calibration report (Float64):
Ecal = 1 Hartree
E = 1.1000000000000001 Hartree
absolute accuracy: ΔE = 0.1 Hartree (657.968 THz)
relative accuracy: ΔE/E = 0.0909091