Quantum Chemistry and Spectroscopy of Highly Excited States of Coordination Compounds
Journal of Structural Chemistry
, E-ISSN: 1573-8779
Institute of Inorganic Chemistry, Siberian Branch, Academy of Sciences of the USSR
Institute of Catalysis, Siberian Branch, Academy of Sciences of the USSR
Institute of Chemistry and Chemical Technology, Siberian Branch, Academy of Sciences of the USSR
Branch of the Institute of Chemical Physics, Academy of Sciences of the USSR
The present state of the nonempirical quantum chemistry and optical, x-ray, and electron spectroscopy of coordination compounds of transition metals has been reviewed. The successes and failures of the theory of molecular orbitals in the description of electronic structure have been analyzed, and the most important many-electron effects accompanying the ionization and excitation of electron shells have been described.