| h |
6.62606896E-34 |
The Planck constant (Js) |
| c |
2.99792458E8 |
Speed of light (ms$^{-1}$) |
| kb |
1.3806504E-23 |
The Boltzmann constant (JK$^{-1}$) |
| R |
8.314472 |
Universal gas constant (JK$^{-1}$mol$^{-1}$) |
| bohr2angstroms |
0.52917720859 |
Bohr to Angstroms conversion factor |
| bohr2m |
0.52917720859E-10 |
Bohr to meters conversion factor |
| bohr2cm |
0.52917720859E-8 |
Bohr to centimeters conversion factor |
| amu2g |
1.660538782E-24 |
Atomic mass units to grams conversion factor |
| amu2kg |
1.660538782E-27 |
Atomic mass units to kg conversion factor |
| au2amu |
5.485799097E-4 |
Atomic units (m$@@e$) to atomic mass units conversion factor |
| hartree2J |
4.359744E-18 |
Hartree to joule conversion factor |
| hartree2aJ |
4.359744 |
Hartree to attojoule (10$^{-18}$J) conversion factor |
| cal2J |
4.184 |
Calorie to joule conversion factor |
| dipmom_au2si |
8.47835281E-30 |
Atomic units to SI units (Cm) conversion factor for dipoles |
| dipmom_au2debye |
2.54174623 |
Atomic units to Debye conversion factor for dipoles |
| dipmom_debye2si |
3.335640952E-30 |
Debye to SI units (Cm) conversion factor for dipoles |
| c_au |
137.035999679 |
Speed of light in atomic units |
| hartree2ev |
27.21138 |
Hartree to eV conversion factor |
| hartree2wavenumbers |
219474.6 |
Hartree to cm$^{-1}$ conversion factor |
| hartree2kcalmol |
627.5095 |
Hartree to kcal mol$^{-1}$ conversion factor |
| hartree2kJmol |
2625.500 |
Hartree to kilojoule mol$^{-1}$ conversion factor |
| hartree2MHz |
6.579684E9 |
Hartree to MHz conversion factor |
| kcalmol2wavenumbers |
349.7551 |
kcal mol$^{-1}$ to cm$^{-1}$ conversion factor |
| e0 |
8.854187817E-12 |
Vacuum permittivity (Fm$^{-1}$) |
| na |
6.02214179E23 |
Avagadro’s number |
| me |
9.10938215E-31 |
Electron rest mass (in kg) |
