Preferred Label : atomic units;
IUPAC definition : The units designed to simplify the form of the fundamental equations of quantum mechanics
by eliminating from them fundamental constants. The atomic unit of length is the Bohr
radius, ao h2/4π2.m.e2 5.29177249E-11 m (0.529177249 Å). Energy is measured in
hartrees, where 1 hartree e2/ao 4.3597482 x 10E-18 J. Masses are specified in
terms of atomic mass unit, amu 1.6605402 x 10E-27 kg and of the electron mass unit,
me 0.910953 x 10E-30 kg. The advantage of atomic units is that if all calculations
are directly expressed in such units, the results do not vary with any revision of
the numerical values of the fundamental constants.;
Origin ID : A00504;
See also
The units designed to simplify the form of the fundamental equations of quantum mechanics
by eliminating from them fundamental constants. The atomic unit of length is the Bohr
radius, ao h2/4π2.m.e2 5.29177249E-11 m (0.529177249 Å). Energy is measured in
hartrees, where 1 hartree e2/ao 4.3597482 x 10E-18 J. Masses are specified in
terms of atomic mass unit, amu 1.6605402 x 10E-27 kg and of the electron mass unit,
me 0.910953 x 10E-30 kg. The advantage of atomic units is that if all calculations
are directly expressed in such units, the results do not vary with any revision of
the numerical values of the fundamental constants.
