title: Relating polarizability to volume, ionization energy, electronegativity, hardness, moments of momentum, and other molecular properties.
abstract: Semiquantitative relationships between the mean static dipole polarizability and other molecular properties such as the volume, ionization energy, electronegativity, hardness, and moments of momentum are explored. The relationships are tested using density functional theory computations on the 1641 neutral, ground-state, organic molecules in the TABS database. The best polarizability approximations have median errors under 5%.
authors.affiliation: Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick E3B 5A3, Canada.
authors.forename: Shamus A
authors.initials: SA
authors.lastname: Blair
authors.affiliation: Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick E3B 5A3, Canada.
authors.forename: Ajit J
authors.initials: AJ
authors.lastname: Thakkar