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Electric Properties of Atoms and Molecules.

Information on molecular multipole moments and polarizabilities is necessary in studies of ion-molecular, electron-molecular processes, radical recombination, and transport properties. We can obtain precise estimates of molecular multipole moments and polarizabilities using high-level electronic structure calculations, extracting the information on electric properties without any accuracy loss using the finite-field technique.

  • dipole moment
  • polarizability
  • quadrupole moment
Examples:

Calculations of electric properities of neodimium iodide molecules

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