CHEMISTRY 164, SPRING, 2007
CHEMISTRY 164, SPRING, 2008
ATOMIC UNITS AND CONVERSION FACTORS
I) Atomic unit of distance
1 Bohr (a0) = 0.529177249 Ångstrom
II) Atomic unit of charge
1 electron = 1.602188 x 10-19 Coulomb = F/NA
III) Atomic unit of mass
1 atomic mass unit (u) = 1.6605402 x 10-27 Kg = (0.012 Kg)/NA
IV) Atomic unit of energy
1 Hartree = 627.5095 kcal/mol
= 2625.550 kJ/mol
= 4.3597482 x 10-18 J/particle
= 27.2116 electron Volt
V) Atomic unit of dipole moment
1 Bohr-electron = 2.541765 Debye
The Wikipedia entry for atomic units is instructive.
Atomic_units.doc, 25 Jan. 2008
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