Atomic Units

Atomic units used in the exciting code

• ℏ = m_e = e = 1

• Energies are given in Hartree:
  1 Ha = 2 Ry = 27.21138386(68) eV = 4.35926 10^-18 J

• Lengths are given in Bohr:
  1 a_Bohr = 0.52917720859(36) Å = 0.52917720859(36) 10^-10 m

• Magnetic fields are given in units of
  1 a.u. = e /(a_Bohr²) = 1717.2445320376 Tesla