tailieunhanh - Ideas of Quantum Chemistry P54

Ideas of Quantum Chemistry P54 shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. | 496 9. Electronic Motion in the Mean Field Periodic Systems electronic correlation effects will be more and more important. The real challenge will start in designing non-periodic materials where the polymer backbone will serve as a molecular rack for installing some functions transport binding releasing signal transmitting . The functions will be expected to cooperate smart materials cf. Chapter 15 . Additional literature . Levin Vviedienije w kvantovuyou khimiyou tverdovo tiela. Khimicheskaya sviaz i struktura energeticheskikh zon w tietraedricheskikh poluprovodnikakh Khimija Moscow 1974. This is the first textbook of solid state chemistry. The theory of periodic systems especially semiconductors is presented in about 230 pages. R. Hoffmann Solids and Surfaces. A Chemist s View of Bonding in Extended Structures VCH publishers New York 1988. A masterpiece written by a Nobel Prize winner one of the founders of solid state quantum chemistry. More oriented towards chemistry than Levin s book. Solid state theory was traditionally the domain of physicists some concepts typical of chemistry as . atomic orbitals bonding and antibonding effects chemical bonds and localization of orbitals were usually absent in such descriptions. . André J. Delhalle . Brédas Quantum Chemistry Aided Design of Organic Polymers World Scientific Singapore 1991. A well written book oriented mainly towards the response of polymers to the electric field. Questions 1. Bloch theorem says that . YL . . . . . . a T Rj k r exp ifcr fo r b fat _k r c k r -k r 0 d k r-Rj exp -ikRj k r . 2. The First Brillouin Zone k stands for the wave vector CO - for a crystal orbital a represents the smallest unit cell of the primitive lattice b represents the smallest motif in the crystal c its interior contains only non-equivalent vectors d represents a basis in the inverse cell. 3. Function 6 f corresponding to the wave vector k a has to satisfy the Schrodinger equation b represents a wave with .