The periodic table is used as a predictive tool. As expected, semimetals exhibit properties intermediate between metals and nonmetals. Most solid nonmetals are brittle, so they break into small pieces when hit with a hammer or pulled into a wire. Nonmetals can be gases (such as chlorine), liquids (such as bromine), or solids (such as iodine) at room temperature and pressure. Nonmetals, in contrast, are generally poor conductors of heat and electricity and are not lustrous. Of the metals, only mercury is a liquid at room temperature and pressure all the rest are solids. The vast majority of the known elements are metals. Metals-such as copper or gold-are good conductors of electricity and heat they can be pulled into wires because they are ductile they can be hammered or pressed into thin sheets or foils because they are malleable and most have a shiny appearance, so they are lustrous. The distinction between metals and nonmetals is one of the most fundamental in chemistry. Gold-colored lements that lie along the diagonal line exhibit properties intermediate between metals and nonmetals they are called semimetals. Rev.\) divides the elements into metals (in blue, below and to the left of the line) and nonmetals (in bronze, above and to the right of the line). Luther, Temperature-Its Measurement and Control in Science and Industry, vol. Government Printing Office, Washington, D.C., 1970) Moore, National Standard Reference Data Series 34 (U.S. Gaussian 09, Revision E 02, Wallingford CT (2013)Ĭ.E. Bederson, Advances in Atomic and Molecular Physics (Academic Press, Cambridge, 1978), pp. ![]() World Scientific, Singapore, River Edge, N.J., 1997)Ĭ.J. Bonin, Electric-Dipole Polarizabilities of Atoms (Molecules and Clusters. The colored lines join isoelectronic species. Semi-logarithm plot of calculated static polarizabilities of neutral atoms (filled circles, black line) and ions (open circles). Our calculation results are in good agreement with the experimental data with the highest accuracy so far and the reported high accuracy calculation results. We adopt the CCSD(T) method with an augmented polarization-consistent and polarization-consistent basis set to calculate the atomic and ionic polarizabilities for the first 20 atoms and ions of the Periodic Table. ![]() The results clearly signal the universality of this theoretical scheme for the atomic polarizability calculation, and should be easy to extend to other elements with weak relativistic effects. To the best of our knowledge, this is the first time, applying a single theoretical scheme successfully predicts static polarizabilities of all 20 consecutive elements across 8 columns and more than 3 full periods being consistent with the experimentally measured values both for neutrals and ions. For the ions, all the calculations are consistent with experimental values with the highest resolution so far, except for the monovalent calcium ion, probably due to strong relativistic effects. The values of the atomic polarizabilities of neutral atoms obtained here agree extremely well with the experimentally measured values. Static dipole polarizabilities for the first 20 atoms and ions of the Periodic Table are calculated within a single theoretical scheme: the coupled-cluster method with a Hartree–Fock reference wavefunction using an augmented-polarization-consistent and polarization-consistent basis set.
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