The following physical constants and conversion factors are used in CFOUR (set in routine constants in the module xjoda):
- atomic unit of length {$a_0$}
Value 0.529 177 2083 x 10-10 m
Standard uncertainty 0.000 000 0019 x 10-10 m
Relative standard uncertainty 3.7 x 10-9
Concise form 0.529 177 2083(19) x 10-10 m
Jobarc record AU_LENGT
- elementary charge {$e$}
Value 1.602 176 462 x 10-19 C
Standard uncertainty 0.000 000 063 x 10-19 C
Relative standard uncertainty 3.9 x 10-8
Concise form 1.602 176 462(63) x 10-19 C
Jobarc record CHARGE_E
- unified atomic mass unit {${\rm u}$}
Value 1.660 538 73 x 10-27 kg
Standard uncertainty 0.000 000 13 x 10-27 kg
Relative standard uncertainty 7.9 x 10-8
Concise form 1.660 538 73(13) x 10-27 kg
Jobarc record AMU
- nuclear magneton {$\mu_{\rm N}$}
Value 5.050 783 17 x 10-27 J T-1
Standard uncertainty 0.000 000 20 x 10-27 J T-1
Relative standard uncertainty 4.0 x 10-8
Concise form 5.050 783 17(20) x 10-27 J T-1
Jobarc record NUC_MAGN
- electron mass {$m_{\rm e}$}
Value 9.109 381 88 x 10-31 kg
Standard uncertainty 0.000 000 72 x 10-31 kg
Relative standard uncertainty 7.9 x 10-8
Concise form 9.109 381 88(72) x 10-31 kg
Jobarc record MASS_ELE
- proton mass {$m_{\rm p}$}
Value 1.672 621 58 x 10-27 kg
Standard uncertainty 0.000 000 13 x 10-27 kg
Relative standard uncertainty 7.9 x 10-8
Concise form 1.672 621 58(13) x 10-27 kg
Jobarc record MASS_PRO
- Planck constant over 2 pi {$\hbar$}
Value 1.054 571 596 x 10-34 J s
Standard uncertainty 0.000 000 082 x 10-34 J s
Relative standard uncertainty 7.8 x 10-8
Concise form 1.054 571 596(82) x 10-34 J s
Jobarc record HBAR
- proton-electron mass ratio {$m_{\rm p}/m_{\rm e}$}
Value 1 836.152 6675
Standard uncertainty 0.000 0039
Relative standard uncertainty 2.1 x 10-9
Concise form 1 836.152 6675(39)
Jobarc record AU_MASSP
- speed of light in vacuum {$ c,c_0 $}
Value 299 792 458 m s-1
Standard uncertainty (exact)
Relative standard uncertainty (exact)
Concise form 299 792 458 m s-1
Jobarc record SP_LIGHT
- Conversion from Eh to eV
Conversion equation: 1 Eh = x eV
x = {2Rhc/e}
Value of conversion factor: x = 27.211 3834(11)
Jobarc record AU_EV
- Avogadro constant {$N_{\rm A},L$}
Value 6.022 141 99 x 1023 mol-1
Standard uncertainty 0.000 000 47 x 1023 mol-1
Relative standard uncertainty 7.9 x 10-8
Concise form 6.022 141 99(47) x 1023 mol-1
Jobard record AVOGADRO
- Conversion from Eh to J
Conversion equation: 1 Eh = x J
x = {2Rhc}
Value of conversion factor: x = 4.359 743 81(34) x 10-18
Jobarc record AU_ENERG
- Conversion from Eh to m-1/cm-1
Conversion equation: (1 Eh)/hc = x m-1
x = {2R}
Value of conversion factor: x = 2.194 746 313 710(17) x 10 7
Jobarc record AU_CM-1
- Conversion from cm-1 to kcal/mole
Value of conversion factor: x = 2.85914 x 10-3
Jobarc record CM-1_KCA
- 'Conversion from cm-1 to kJ/mole
Value of conversion factor: x = 11.96266 x 10-3
Jobarc record CM-1_KJ
- atomic unit of electric dipole moment {$ea_0$}
Value 8.478 352 67 x 10-30 C m
Standard uncertainty 0.000 000 33 x 10-30 C m
Relative standard uncertainty 3.9 x 10-8
Concise form 8.478 352 67(33) x 10-30 C m
1 Debye=3.33564 x 10-30 C m (from Mills, ....)
Final Value=8.478 352 67 / 3.33564
Jobarc record AU_DIPOL
- atomic unit of velocity
Value 2.187 691 2633 x 106 m s-1
Standard uncertainty 0.000 000 0073 x 106 m s-1
Relative standard uncertainty 3.3 x 10-9
Concise form 2.187 691 2633(73) x 106 m s-1
Jobarc record AU_VELOC
- atomic unit of time
Value 2.418 884 326 505 x 10-17 s
Standard uncertainty 0.000 000 000 016 x 10-17 s
Relative standard uncertainty 6.6 x 10-12
Concise form 2.418 884 326 505(16) x 10-17 s
Jobarc record AU_TIME
- electron g value
Value -2.002 319 304 3718
Standard uncertainty 0.000 000 000 0075
Relative standard uncertainty 3.8 x 10-12
Concise form -2.002 319 304 3718(75)
Jobarc record EL_GFACT
- Boltzmann constant
Value 1.380 6504 x 10-23 J K-1
Standard uncertainty 0.000 0024 x 10-23 J K-1
Relative standard uncertainty 1.7 x 10-6
Concise form 1.380 6504(24) x 10-23 J K-1
Jobarc record BOLTZMAN
All values are taken from
QUANTITIES, UNITS, AND SYMBOLS IN PHYSICAL CHEMISTRY, I. Mills et al. Blackwell Science, Oxford, 1993, 2nd Ed.
and from http://physics.nist.gov.cuu/Constants/
Note that currently still some older values are used.