Computational Methods for Large Molecules and Localized States in Solids
Author: F HERMAN (ED.)
Publisher:
Published: 1973
Total Pages: 0
ISBN-13:
DOWNLOAD EBOOKRead and Download eBook Full
Author: F HERMAN (ED.)
Publisher:
Published: 1973
Total Pages: 0
ISBN-13:
DOWNLOAD EBOOKAuthor: F. Herman
Publisher: Springer Science & Business Media
Published: 2012-12-06
Total Pages: 387
ISBN-13: 1468420135
DOWNLOAD EBOOKDuring the past few years, there has been dramatic progress in theoretical and computational studies of large molecules and local ized states in solids. Various semi-empirical and first-principles methods well known in quantum chemistry have been applied with considerable success to ever larger and more complex molecules, including some of biological importance, as well as to selected solid state problems involving localized electronic states. In creasingly, solid state physicists are adopting a molecular point of view in attempting to understand the nature of electronic states associated with (a) isolated structural and chemical defects in solids; (b) surfaces and interfaces; and (c) bulk disordered solids, most notably amorphous semiconductors. Moreover, many concepts and methods already widely used in solid state physics are being adapted to molecular problems. These adaptations include pseudopotentials, statistical exchange approxi mations, muffin-tin model potentials, and multiple scattering and cellular methods. In addition, many new approaches are being de vised to deal with progressively more complex molecular and local ized electronic state problems.
Author:
Publisher:
Published: 1973
Total Pages: 0
ISBN-13:
DOWNLOAD EBOOKAuthor: F. Herman
Publisher:
Published: 1973
Total Pages: 396
ISBN-13:
DOWNLOAD EBOOKAuthor: F. Herman
Publisher:
Published: 1973
Total Pages:
ISBN-13:
DOWNLOAD EBOOKAuthor: F. Herman
Publisher:
Published: 1973
Total Pages: 396
ISBN-13:
DOWNLOAD EBOOKAuthor: Otfried Madelung
Publisher: Springer Science & Business Media
Published: 1996
Total Pages: 508
ISBN-13: 9783540604433
DOWNLOAD EBOOKThis textbook for graduate students of physics and materials science also provides the theoretical background needed by physicists carrying out research in pure solid-state physics and its applications to electrical engineering.
Author: Ahmed A. Hasanein
Publisher: World Scientific
Published: 1996
Total Pages: 264
ISBN-13: 9789810226114
DOWNLOAD EBOOKAn account, from first principles, of the methods of numerical quantum mechanics. Coverage encompasses formulations and fundamental postulates; the Hamiltonian and angular momentum operators; and approximation of the solutions of the Schroedinger equation
Author:
Publisher: Academic Press
Published: 1980-09-01
Total Pages: 417
ISBN-13: 0080864996
DOWNLOAD EBOOKSolid State Physics
Author: D.E. Ellis
Publisher: Springer Science & Business Media
Published: 2012-12-06
Total Pages: 321
ISBN-13: 9401104875
DOWNLOAD EBOOKRapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.