Application of density functional theory to calculation of in-crystal anionic polarizability
Application of density functional theory to calculation of in-crystal anionic polarizability is a scholarly work, published in 1999 in ''Chemical Physics Letters''. The main subjects of the publication include density functional theory, polarizability, chemical physics, ion, molecule, derivative, lattice, powder diffraction, computational chemistry, noncovalent bonding, Crystal, chemistry, crystal structure, and molecular physics. Density functional calculations of polarizability and its derivative with lattice parameter are reported for F(-) in LiF and O(2-) in MgO, using embedded cluster techniques.