INFORMATION ENERGY AS AN ELECTRON CORRELATION MEASURE IN ATOMIC AND MOLECULAR SYSTEMS

The information energy is proposed as a possible measure for electron correlation energy in atoms and molecules. For neutral atoms and their cations, we proposed an expression for correlation energy with explicit dependence on the information energy and atomic number. The obtained correlation energies have been used to compute the first ionization potentials of the ground state of the main group elements from hydrogen through krypton. It is shown that the information energy of a molecule can be well-estimated by use of the information energies of its constituent atoms. On the basis of the molecular information energy and number of electrons in the molecule, a simple model has been proposed for evaluation of molecular correlation energy.